Sample Originator: Andy Peltera.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
University College of Swanseaa
University of Southamptonb
C31H28ClNO
InChI=1/C31H28ClNO/c32-30(28-9-5-2-6-10-28)31(34)33(22-26-7-3-1-4-8-26)29-21-25-16-15-23-11-13-24(14-12-23)17-19-27(29)20-18-25/h1-14,18,20-21,30H,15-17,19,22H2/t30-/m0/s1
| Identification Number: | 10.5258/ecrystals/744 |
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| Date Created: | 20 August 1998 |
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| Deposited On: | 14 Aug 2013 23:48 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C31 H28 Cl N O |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 12.5670(7) |
| Cell length b | 8.9690(13) |
| Cell length c | 21.549(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.700(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0604 |
| R Factor (All) | 0.1223 |
| Weighted R Factor (Obs) | 0.1042 |
| Weighted R Factor (All) | 0.1248 |
Citation: Pelter, Andy and Light, Mark E. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/744)
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