Biphase Micro/Nanometer Sized Single Crystals of Organic
Semiconductors: Control Syntheses and Their Strong Phase Dependent
Optoelectronic Properties
Chengliang Wang, a,d Yaling Liu, c Zhongming Wei, a,d Hongxiang Li,* ,b Wei Xu, a
Wenping Hu* ,a
Experimental
Measurements: X-Ray diffraction (XRD) of powders belonged to two phases were measured on D/max2500 with CuK\

radiation (

= 1.54056 Å). The Raman spectra were recorded on a Raman triple spectrograph ‘Renishaw inVia plus’ (785 nm laser). SEM images were obtained on Hitachi S-4300 SE instrument. TEM images and SAED patterns were carried out on JEOL JEM-2011 instrument. AFM images were performed in air using a Digital Instruments Nanoscope III in tapping mode.
Synthesis of

and

phase single crystals, device fabrication and electrical
characterization: The OTS-modified SiO
2
/Si substrates were treated as mentioned in our previous work
[1]
.

phase single crystals of BPEA were prepared by drop-casting a solution of BPEA in chlorobenzene (1 mg/mL) onto a OTS-modified SiO
2
/Si substrates through slow solvent evaporation (put the substrates in a closed bottle) and the color of the crystals is yellow.

phase single crystals were synthesized by drop-casting a solution of BPEA in dichloromethane solution (2 mg/mL) onto the same substrates through fast evaporation (put the substrates in a opened system), the color of the crystals is yellow.
Devices were fabricated by manually gluing Au films onto single crystals as drain and source electrodes. Device performance were recorded on a Keithley 4200 SCS and Micromanipulator 6150 probe station in a clean and shielded box at room temperature in air. The light was supplied by a white-light iodine-tungsten lamp with a power density ranging from 0.37 to 5.76 mw/cm
2
.

[1] C. Wang, Y. Liu, Z. Ji, E. Wang, R. Li, H. Jiang, Q. Tang, H. Li and W. Hu,
Chem. Mater. 21 , 2840 (2009).

Figure S1 . SEM images of a) micro/nanorods and b) ribbons of BPEA .

Figure S2 . XRD patterns of single crystals casting from chlorobenzene and dichloromethane solutions of BPEA .

Figure S3 . Micro-Raman spectra of an individual micro/nanorod and ribbon of BPEA casting from chlorobenzene and dichloromethane solutions (785 nm laser).

Figure S4 . Field effect transistor output curves of an example device based on an individual single crystal a) micro/nanorod and b) ribbon of BPEA.

Figure S5.
The relationship between photocurrent and power of illumination at bias
30 V. a): ribbon; b): rod.

CIF file of

phase single crystal data_a
_audit_creation_method SHELXL-97
_chemical_name_systematic
_chemical_name_common ?
_chemical_melting_point ?
_chemical_formula_moiety ?
_chemical_formula_sum
'C30 H18'
_chemical_formula_weight 378.44 loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'C' 'C' 0.0033 0.0016
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'H' 'H' 0.0000 0.0000
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M C2/c loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'

'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
_cell_length_a 22.866(5)
_cell_length_b 5.3567(11)
_cell_length_c 16.930(3)
_cell_angle_alpha 90.00
_cell_angle_beta 99.72(3)
_cell_angle_gamma 90.00
_cell_volume 2043.8(7)
_cell_formula_units_Z 4
_cell_measurement_temperature 296(2)
_cell_measurement_reflns_used ?
_cell_measurement_theta_min ?
_cell_measurement_theta_max ?
_exptl_crystal_description ?
_exptl_crystal_colour ?
_exptl_crystal_size_max 0.40
_exptl_crystal_size_mid 0.34
_exptl_crystal_size_min 0.05
_exptl_crystal_density_meas ?
_exptl_crystal_density_diffrn 1.230
_exptl_crystal_density_method 'not measured'
_exptl_crystal_F_000 792
_exptl_absorpt_coefficient_mu 0.070

_exptl_absorpt_correction_type ?
_exptl_absorpt_correction_T_min 0.9726
_exptl_absorpt_correction_T_max 0.9965
_exptl_absorpt_process_details ?
_exptl_special_details
_diffrn_ambient_temperature 296(2)
_diffrn_radiation_wavelength 0.71073
_diffrn_radiation_type MoK\a
_diffrn_radiation_source 'fine-focus sealed tube'
_diffrn_radiation_monochromator graphite
_diffrn_measurement_device_type ?
_diffrn_measurement_method ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time ?
_diffrn_standards_decay_% ?
_diffrn_reflns_number 3463
_diffrn_reflns_av_R_equivalents 0.0377
_diffrn_reflns_av_sigmaI/netI 0.0481
_diffrn_reflns_limit_h_min -27
_diffrn_reflns_limit_h_max 27
_diffrn_reflns_limit_k_min -6
_diffrn_reflns_limit_k_max 6
_diffrn_reflns_limit_l_min -20
_diffrn_reflns_limit_l_max 20
_diffrn_reflns_theta_min 2.78
_diffrn_reflns_theta_max 25.50
_reflns_number_total 1901

_reflns_number_gt 1267
_reflns_threshold_expression >2sigma(I)
_computing_data_collection ?
_computing_cell_refinement ?
_computing_data_reduction ?
_computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics ?
_computing_publication_material ?
_refine_special_details
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type full
_refine_ls_weighting_scheme calc
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0578P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary direct
_atom_sites_solution_secondary difmap
_atom_sites_solution_hydrogens geom

_refine_ls_hydrogen_treatment ?
_refine_ls_extinction_method none
_refine_ls_extinction_coef ?
_refine_ls_number_reflns 1901
_refine_ls_number_parameters 136
_refine_ls_number_restraints 0
_refine_ls_R_factor_all 0.1008
_refine_ls_R_factor_gt 0.0594
_refine_ls_wR_factor_ref 0.1388
_refine_ls_wR_factor_gt 0.1235
_refine_ls_goodness_of_fit_ref 1.090
_refine_ls_restrained_S_all 1.090
_refine_ls_shift/su_max 0.000
_refine_ls_shift/su_mean 0.000 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.20480(10) -0.2978(4) 0.21367(13) 0.0691(6) Uani 1 1 d . . .

H1A H -0.2040 -0.4234 0.2518 0.083 Uiso 1 1 calc R . .
C2 C -0.24896(10) -0.2970(5) 0.14666(15) 0.0798(7) Uani 1 1 d . . .
H2A H -0.2778 -0.4211 0.1403 0.096 Uiso 1 1 calc R . .
C3 C -0.25030(10) -0.1149(6) 0.08990(14) 0.0769(8) Uani 1 1 d . . .
H3A H -0.2805 -0.1121 0.0456 0.092 Uiso 1 1 calc R . .
C4 C -0.20710(12) 0.0622(5) 0.09887(14) 0.0849(8) Uani 1 1 d . . .
H4A H -0.2071 0.1836 0.0596 0.102 Uiso 1 1 calc R . .
C5 C -0.16360(10) 0.0632(4) 0.16533(13) 0.0727(7) Uani 1 1 d . . .
H5A H -0.1345 0.1864 0.1707 0.087 Uiso 1 1 calc R . .
C6 C -0.16215(8) -0.1147(4) 0.22432(11) 0.0518(5) Uani 1 1 d . . .
C7 C -0.11809(9) -0.1001(4) 0.29572(12) 0.0580(6) Uani 1 1 d . . .
C8 C -0.08317(9) -0.0755(4) 0.35646(12) 0.0565(6) Uani 1 1 d . . .
C9 C -0.04128(8) -0.0385(4) 0.42884(11) 0.0508(5) Uani 1 1 d . . .
C10 C 0.00168(8) 0.1525(4) 0.43193(11) 0.0508(5) Uani 1 1 d . . .
C11 C 0.00412(9) 0.3127(4) 0.36540(12) 0.0584(6) Uani 1 1 d . . .
H11A H -0.0228 0.2898 0.3182 0.070 Uiso 1 1 calc R . .
C12 C 0.04480(10) 0.4974(4) 0.36963(13) 0.0664(6) Uani 1 1 d . . .
H12A H 0.0454 0.6005 0.3256 0.080 Uiso 1 1 calc R . .
C13 C 0.08635(9) 0.5350(4) 0.44043(14) 0.0664(6) Uani 1 1 d . . .
H13A H 0.1143 0.6619 0.4426 0.080 Uiso 1 1 calc R . .
C14 C 0.08571(9) 0.3878(4) 0.50492(12) 0.0604(6) Uani 1 1 d . . .
H14A H 0.1133 0.4152 0.5512 0.072 Uiso 1 1 calc R . .
C15 C 0.04352(8) 0.1910(4) 0.50353(11) 0.0508(5) Uani 1 1 d . . . loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23

_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0794(15) 0.0696(14) 0.0550(13) -0.0001(11) 0.0017(12) -0.0135(13)
C2 0.0706(15) 0.0976(19) 0.0679(16) -0.0206(15) 0.0023(13) -0.0239(13)
C3 0.0616(15) 0.112(2) 0.0519(14) -0.0143(15) -0.0066(11) 0.0178(14)
C4 0.0913(18) 0.0918(19) 0.0632(16) 0.0183(13) -0.0110(14) 0.0018(15)
C5 0.0700(15) 0.0776(17) 0.0646(15) 0.0122(12) -0.0058(12) -0.0112(12)
C6 0.0530(12) 0.0584(12) 0.0416(11) -0.0035(10) 0.0005(9) 0.0058(9)
C7 0.0534(12) 0.0677(14) 0.0502(12) -0.0031(10) 0.0009(10) 0.0046(10)
C8 0.0524(12) 0.0645(14) 0.0500(13) -0.0036(10) 0.0007(10) 0.0052(10)
C9 0.0471(11) 0.0609(13) 0.0423(11) -0.0060(9) 0.0014(9) 0.0095(9)
C10 0.0489(11) 0.0595(13) 0.0429(11) -0.0031(10) 0.0048(9) 0.0097(10)
C11 0.0554(12) 0.0706(14) 0.0480(12) -0.0011(11) 0.0051(9) 0.0076(11)
C12 0.0683(14) 0.0740(15) 0.0581(14) 0.0064(12) 0.0139(11) 0.0048(12)
C13 0.0650(14) 0.0676(15) 0.0675(15) -0.0034(12) 0.0135(12) -0.0040(11)
C14 0.0536(13) 0.0704(15) 0.0550(13) -0.0088(11) 0.0030(10) 0.0028(10)
C15 0.0463(11) 0.0576(12) 0.0475(12) -0.0071(9) 0.0049(9) 0.0068(9)
_geom_special_details
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
; loop_
_geom_bond_atom_site_label_1

_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.373(3) . ?
C1 C2 1.385(3) . ?
C1 H1A 0.9300 . ?
C2 C3 1.366(3) . ?
C2 H2A 0.9300 . ?
C3 C4 1.359(3) . ?
C3 H3A 0.9300 . ?
C4 C5 1.370(3) . ?
C4 H4A 0.9300 . ?
C5 C6 1.377(3) . ?
C5 H5A 0.9300 . ?
C6 C7 1.439(3) . ?
C7 C8 1.198(2) . ?
C8 C9 1.436(3) . ?
C9 C10 1.413(3) . ?
C9 C15 1.415(3) 5_556 ?
C10 C11 1.425(3) . ?
C10 C15 1.427(3) . ?
C11 C12 1.352(3) . ?
C11 H11A 0.9300 . ?
C12 C13 1.413(3) . ?
C12 H12A 0.9300 . ?
C13 C14 1.349(3) . ?
C13 H13A 0.9300 . ?
C14 C15 1.427(3) . ?
C14 H14A 0.9300 . ?

C15 C9 1.415(3) 5_556 ? loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 120.6(2) . . ?
C6 C1 H1A 119.7 . . ?
C2 C1 H1A 119.7 . . ?
C3 C2 C1 120.3(2) . . ?
C3 C2 H2A 119.8 . . ?
C1 C2 H2A 119.8 . . ?
C4 C3 C2 119.4(2) . . ?
C4 C3 H3A 120.3 . . ?
C2 C3 H3A 120.3 . . ?
C3 C4 C5 120.5(2) . . ?
C3 C4 H4A 119.8 . . ?
C5 C4 H4A 119.8 . . ?
C4 C5 C6 121.2(2) . . ?
C4 C5 H5A 119.4 . . ?
C6 C5 H5A 119.4 . . ?
C1 C6 C5 118.01(18) . . ?
C1 C6 C7 122.02(19) . . ?
C5 C6 C7 119.94(19) . . ?
C8 C7 C6 176.0(2) . . ?
C7 C8 C9 178.4(2) . . ?

C10 C9 C15 120.54(16) . 5_556 ?
C10 C9 C8 119.41(17) . . ?
C15 C9 C8 120.05(18) 5_556 . ?
C9 C10 C11 121.78(17) . . ?
C9 C10 C15 119.88(18) . . ?
C11 C10 C15 118.33(19) . . ?
C12 C11 C10 121.16(19) . . ?
C12 C11 H11A 119.4 . . ?
C10 C11 H11A 119.4 . . ?
C11 C12 C13 120.5(2) . . ?
C11 C12 H12A 119.7 . . ?
C13 C12 H12A 119.7 . . ?
C14 C13 C12 120.4(2) . . ?
C14 C13 H13A 119.8 . . ?
C12 C13 H13A 119.8 . . ?
C13 C14 C15 121.22(19) . . ?
C13 C14 H14A 119.4 . . ?
C15 C14 H14A 119.4 . . ?
C9 C15 C14 122.02(17) 5_556 . ?
C9 C15 C10 119.57(18) 5_556 . ?
C14 C15 C10 118.39(19) . . ? loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2

_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0.6(4) . . . . ?
C1 C2 C3 C4 1.5(4) . . . . ?
C2 C3 C4 C5 -2.0(4) . . . . ?
C3 C4 C5 C6 0.4(4) . . . . ?
C2 C1 C6 C5 -2.1(3) . . . . ?
C2 C1 C6 C7 175.7(2) . . . . ?
C4 C5 C6 C1 1.7(3) . . . . ?
C4 C5 C6 C7 -176.2(2) . . . . ?
C1 C6 C7 C8 -108(3) . . . . ?
C5 C6 C7 C8 70(3) . . . . ?
C6 C7 C8 C9 -44(10) . . . . ?
C7 C8 C9 C10 -33(7) . . . . ?
C7 C8 C9 C15 147(7) . . . 5_556 ?
C15 C9 C10 C11 -178.51(17) 5_556 . . . ?
C8 C9 C10 C11 1.0(3) . . . . ?
C15 C9 C10 C15 0.5(3) 5_556 . . . ?
C8 C9 C10 C15 180.00(17) . . . . ?
C9 C10 C11 C12 178.85(19) . . . . ?
C15 C10 C11 C12 -0.2(3) . . . . ?
C10 C11 C12 C13 0.4(3) . . . . ?
C11 C12 C13 C14 -0.4(3) . . . . ?
C12 C13 C14 C15 0.2(3) . . . . ?
C13 C14 C15 C9 -178.51(19) . . . 5_556 ?
C13 C14 C15 C10 0.0(3) . . . . ?
C9 C10 C15 C9 -0.5(3) . . . 5_556 ?
C11 C10 C15 C9 178.55(17) . . . 5_556 ?
C9 C10 C15 C14 -179.10(17) . . . . ?

C11 C10 C15 C14 0.0(3) . . . . ?
_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full 25.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max 0.122
_refine_diff_density_min -0.129
_refine_diff_density_rms 0.036

CIF file of

phase single crystal
#####################################################################
######
#
# Cambridge Crystallographic Data Centre
# CCDC
#
#####################################################################
######
#
# This CIF contains data generated directly from an entry in the Cambridge
# Structural Database and will include bibliographic, chemical, crystal,
# experimental, refinement, and atomic coordinate data, as available.
#
# Copyright 2006 The Cambridge Crystallographic Data Centre
#
# This CIF is provided on the understanding that it is used for bona fide
# research purposes only. It may contain copyright material of the CCDC
# or of third parties, and may not be copied or further disseminated in
# any form, whether machine-readable or not, except for the purpose of
# generating routine backup copies on your local computer system.
#
# For further information about the CCDC, data deposition and data
# retrieval see <www.ccdc.cam.ac.uk>. Bona fide researchers may freely
# download Mercury and enCIFer from this site to visualise CIF-encoded
# structures and to carry out CIF format checking respectively.
#
#####################################################################

###### data_CSD_CIF_LEPPIF
_audit_creation_date 1994-10-12
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD LEPPIF
_chemical_formula_sum 'C30 H18'
_chemical_formula_moiety
;
C30 H18
;
_journal_coden_Cambridge 1088
_journal_year 1994
_journal_page_first 299
_journal_name_full 'Synlett ' loop_
_publ_author_name
"P.Nguyen"
"S.Todd"
"D.Van den Biggelaar"
"N.J.Taylor"
"T.B.Marder"
"F.Wittmann"
"R.H.Friend"
_chemical_name_systematic
;
9,10-bis(Phenylethynyl)anthracene
;
_cell_volume 1986.294
_exptl_crystal_colour 'orange'

_exptl_crystal_density_diffrn 1.266
_diffrn_ambient_temperature 140
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0417
_refine_ls_wR_factor_gt 0.0417
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c n'
_symmetry_Int_Tables_number 60 loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,z
3 x,-y,1/2+z
4 1/2-x,1/2-y,1/2+z
5 -x,-y,-z
6 -1/2+x,-1/2-y,-z
7 -x,y,-1/2-z
8 -1/2+x,-1/2+y,-1/2-z
_cell_length_a 24.305(4)
_cell_length_b 11.512(1)
_cell_length_c 7.099(1)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4 loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68

H 0.23 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C 0.52842(7) 0.67282(14) 0.22641(24)
C2 C 0.55577(6) 0.57094(14) 0.20427(23)
C3 C 0.52877(5) 0.46235(12) 0.22672(20)
C4 C 0.55660(5) 0.35543(14) 0.20476(20)
C5 C 0.52863(5) 0.24879(12) 0.22641(20)
C6 C 0.55569(6) 0.13974(15) 0.20175(23)
C7 C 0.52823(7) 0.03805(15) 0.22505(27)
C8 C 0.61450(5) 0.35628(13) 0.16402(20)
C9 C 0.66276(6) 0.35955(13) 0.1352(2)
C10 C 0.72130(5) 0.36476(12) 0.10421(20)
C11 C 0.74495(6) 0.46229(14) 0.02058(21)
C12 C 0.80119(6) 0.46693(16) -0.00792(24)
C13 C 0.83416(6) 0.37477(17) 0.04718(24)
C14 C 0.81109(6) 0.27819(16) 0.13140(24)
C15 C 0.75475(6) 0.27226(14) 0.16017(22)
H1 H 0.5464(6) 0.7489(14) 0.2092(24)
H2 H 0.5962(7) 0.5721(13) 0.1723(23)
H3 H 0.5946(7) 0.1402(13) 0.1646(22)
H4 H 0.5465(6) -0.0397(15) 0.2061(27)
H5 H 0.7212(5) 0.5301(14) -0.0147(23)
H6 H 0.8170(6) 0.5369(15) -0.0633(26)
H7 H 0.8748(7) 0.3772(14) 0.0224(24)
H8 H 0.8341(7) 0.2114(15) 0.1717(25)

H9 H 0.7381(6) 0.2038(13) 0.2200(23)
C1F* C 0.47158(7) 0.67282(14) 0.27359(24)
C3F* C 0.47123(5) 0.46235(12) 0.27328(20)
C5F* C 0.47137(5) 0.24879(12) 0.27359(20)
C7F* C 0.47177(7) 0.03805(15) 0.27495(27)
C2F* C 0.44423(6) 0.57094(14) 0.29573(23)
H1F* H 0.4536(6) 0.7489(14) 0.2908(24)
C4F* C 0.44340(5) 0.35543(14) 0.29524(20)
C6F* C 0.44431(6) 0.13974(15) 0.29825(23)
H4F* H 0.4535(6) -0.0397(15) 0.2939(27)
H2F* H 0.4038(7) 0.5721(13) 0.3277(23)
C8F* C 0.38550(5) 0.35628(13) 0.33598(20)
H3F* H 0.4054(7) 0.1402(13) 0.3354(22)
C9F* C 0.33724(6) 0.35955(13) 0.3648(2)
C10F* C 0.27870(5) 0.36476(12) 0.39579(20)
C11F* C 0.25505(6) 0.46229(14) 0.47942(21)
C15F* C 0.24525(6) 0.27226(14) 0.33983(22)
C12F* C 0.19881(6) 0.46693(16) 0.50792(24)
H5F* H 0.2788(5) 0.5301(14) 0.5147(23)
C14F* C 0.18891(6) 0.27819(16) 0.36860(24)
H9F* H 0.2619(6) 0.2038(13) 0.2800(23)
C13F* C 0.16584(6) 0.37477(17) 0.45282(24)
H6F* H 0.1830(6) 0.5369(15) 0.5633(26)
H8F* H 0.1659(7) 0.2114(15) 0.3283(25)
H7F* H 0.1252(7) 0.3772(14) 0.4776(24)
#END