Sample Originator: N Tomkinsonb.
Data Collection: Simon J. Colesa
Structure Determination: Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
Cardiff Universityb
C22H16O4
InChI=1/C22H16O4/c23-21-17-13-7-8-14-18(17)22(24)26-20(16-11-5-2-6-12-16)19(25-21)15-9-3-1-4-10-15/h1-14,19-20H/t19-,20-/m1/s1
| Identification Number: | 10.5258/ecrystals/420 |
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| Date Created: | 12 May 2008 |
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| Deposited On: | 12 May 2008 20:37 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C22 H16 O4 |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 9.7058(3) |
| Cell length b | 14.1810(5) |
| Cell length c | 11.9258(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.715(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0505 |
| R Factor (Obs) | 0.0507 |
| R Factor (All) | 0.0623 |
| Weighted R Factor (Obs) | 0.1005 |
| Weighted R Factor (All) | 0.1073 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Tomkinson, N (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/420)
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