Sample Originator: Chris D. Gabbutta.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
University of Leedsa
University of Southamptonb
C37H27NO4P
InChI=1/C37H31NO4P/c1-41-27-23-21-26(22-24-27)38-36(40)34(25-32-35(39)31-19-11-12-20-33(31)42-37(32)38)43(28-13-5-2-6-14-28,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-25,32,34,37,43H,1H3/t32?,34-,37+/m1/s1
| Controlled Keywords: | heterocycles |
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| Date Created: | 26 September 2002 |
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| Deposited On: | 16 Feb 2010 11:04 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogens were placed in idealised positions and refine dusing a riding model.
Data collection parameters
| Chemical formula | C37 H27 N O4 P |
| Crystal morphology | |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.0140(8) |
| Cell length b | 12.3990(10) |
| Cell length c | 13.8330(14) |
| Cell angle alpha | 110.048(3) |
| Cell angle beta | 92.914(4) |
| Cell angle gamma | 113.510(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1081 |
| R Factor (All) | 0.1897 |
| Weighted R Factor (Obs) | 0.2532 |
| Weighted R Factor (All) | 0.2989 |
Citation: Gabbutt, Chris D. and Light, Mark E. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1217/)
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