Sample Originator: Chris D. Gabbutta.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Leedsa
University of Southamptonb
C30H21N2O2P
InChI=1/C30H23N2O2P/c31-21-23(30(34)28-18-10-11-19-29(28)33)20-27(22-32)35(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-20,27,33,35H/b23-20+
| Controlled Keywords: | heterocycles |
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| Date Created: | 18 June 2003 |
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| Deposited On: | 16 Feb 2010 14:53 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
Data collection parameters
| Chemical formula | C30 H21 N2 O2 P |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.3901(2) |
| Cell length b | 11.5292(3) |
| Cell length c | 12.0700(3) |
| Cell angle alpha | 67.7260(10) |
| Cell angle beta | 72.1360(10) |
| Cell angle gamma | 63.5460(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0803 |
| R Factor (Obs) | 0.0378 |
| R Factor (All) | 0.0539 |
| Weighted R Factor (Obs) | 0.0851 |
| Weighted R Factor (All) | 0.0921 |
Citation: Gabbutt, Chris D. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1121/)
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