Sample Originator: Robert S. Warda.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University College of Swanseaa
University of Southamptonb
C25H30O7
InChI=1/C25H30O7/c1-24(2)16-11-21(29-6)20(28-5)10-15(16)23-25(32-24)13-31-22(17(25)12-30-23)14-7-8-18(26-3)19(9-14)27-4/h7-11,17,22-23H,12-13H2,1-6H3/t17-,22+,23-,25-/m0/s1
| Identification Number: | 10.5258/ecrystals/1045 |
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| Controlled Keywords: | heterocycles |
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| Date Created: | 12 March 1999 |
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| Deposited On: | 24 Feb 2010 13:19 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C25 H30 O7 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 11.345(2) |
| Cell length b | 8.087(2) |
| Cell length c | 12.444(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.23(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0364 |
| R Factor (All) | 0.0535 |
| Weighted R Factor (Obs) | 0.0972 |
| Weighted R Factor (All) | 0.1165 |
Citation: Ward, Robert S. and Coles, Simon J. and Hursthouse, Michael B. (1999) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1045)
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