MOLECULAR STRUCTURE LABORATORY SAMPLE SUBMISSION FORM
_________________________________________
CONTACT INFORMATION
Name:
___________________________________________; e-mail: ___________________________________________; phone #: ______________________;
Advisor: ___________________________________________.
DESIRED CRYSTALLOGRAPHIC INFORMATION
□ Unit cell only
□ Data collection only
□ Complete structural characterization
□ Absolute configuration
□ Relative configuration
□ Other? Specify: ________________________________________________________________
SAMPLE INFORMATION
Date submitted: _____________________________, 2016; your sample code: _______________________________
□ I will keep the sample in my lab until a diffractometer is available
□ Air-stable
□ Air- and moisture-sensitive
Other analyses performed?
□ EA
□ IR
□ I will need my sample back
□ Temperature-sensitive
□ NMR
□ Mass Spec
□ MP
□ May contain solvent in the lattice
□ Toxic
□ Color: _______________________________
Indicate all solvents the compound has been exposed to: acetone / MeCN / benzene / CHCl3 / CH2Cl2 / Dichloroethane / DMF / DMSO / EtOH / ether /
EtOAc / heptane / hexane / MeOH / pentane / THF / toluene / H2 O / or specify:
_______________________________________________________________________
SYNTHETIC ROUTE (Show the reaction, indicate the synthons, desired compound, and byproducts if known):
PROPOSED STRUCTURE:
Proposed molecular formula: _____________________________________________
MOLECULAR STRUCTURE LABORATORY SAMPLE SUBMISSION FORM
_________________________________________
Date examined: ________________________, 2016
DIFFRACTOMETER INFORMATION
□ Gromit
□ Bucky
Power: _______ kV / _______ mA
Temp __________ K
CRYSTAL INFORMATION
Size: ___________ x ___________ x ___________ mm;
color: _______________________;
habit _____________________;
mosaicity = ___________°
CRYSTALLOGRAPHIC INFORMATION
Crystal system: □ triclinic
□ monoclinic
□ orthorhombic
□ tetragonal
□ cubic
□ trigonal
□ hexagonal
Centering: ________; a = ___________ Å, b = ___________ Å, c = ___________ Å, α = ___________°, β = ___________°, γ = ___________°.
Unit cell volume = _____________ Å3, Estimated molecular volume = ____________ Å3, Z = _____ μ = ___________ mm-1 Friedif = ____________
USUAL CHECKS
□ Cambridge Structural Database
□ Reciprocal Net
□ Cell_now
DATA COLLECTION PARAMETERS
UNIT CELL
# of reflections ___________ Scan width ___________° Exposure time ___________sec
DATA COLLECTION
ω runs ___________, φ runs ___________, Scan width ___________°, Exposure time(s) ______________________sec
DATA REDUCTION PARAMETERS
□ Video acquired
□ Crystal faces indexed
Absorption correct type:
□ Analytical
□ Multi-scan
□ No correction.
NOTES:
SOLVENT
Acetone
MeCN
Benzene
CHCl3
CH2Cl2
EtOH
Ether
EtOAc
Hexane
MeOH
Toluene
ELECTRONS,
VOLUME Å3
32, 86
22, 57
42, 144
58, 61
42, 52
26, 72
42, 120
48, 124
50, 154
18, 48
50, 138
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