Sample Originator: D.W. Knighta.
Data Collection: Simon J. Colesb
Structure Determination: Michael B. Hursthouseb and Simon J. Colesb.
Cardiff Universitya
University of Southamptonb
C22H18O2
InChI=1/C22H18O2/c23-21(19-12-6-2-7-13-19)22(24,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,21,23-24H/t21-,22+/m0/s1
| Identification Number: | 10.5258/ecrystals/296 |
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| Date Created: | 16 March 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C22 H18 O2 |
| Crystal morphology | Prism |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 15.5139(3) |
| Cell length b | 5.63200(10) |
| Cell length c | 18.7366(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 93.0380(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0483 |
| R Factor (Obs) | 0.0598 |
| R Factor (All) | 0.0879 |
| Weighted R Factor (Obs) | 0.1408 |
| Weighted R Factor (All) | 0.1548 |
Citation: Knight, D.W. and Coles, Simon J. and Hursthouse, Michael B. and Coles, Simon J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/296)
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