Sample Originator: J.E. Cheesewrighta and M.G. Grossela.
Data Collection: J.E. Cheesewrighta
Structure Determination: J.E. Cheesewrighta, M.C. Grossela, Michael B. Hursthousea and Simon J. Colesa.
University of Southamptona
C26H29NO4
InChI=1/C27H29NO4/c1-16-10-18(3)22(19(4)11-16)14-31-26(29)24-8-7-9-25(28-24)27(30)32-15-23-20(5)12-17(2)13-21(23)6/h7-13H,14-15H2,1-6H3
| Identification Number: | 10.5258/ecrystals/313 |
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| Date Created: | 25 May 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 | C27 H29 N O4 |
| Crystal morphology | Needle |
| Crystal system | monoclinic |
| Space group symbol | C12/c1 |
| Cell length a | 21.5033(15) |
| Cell length b | 6.2034(4) |
| Cell length c | 19.1972(13) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 114.465(7) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1161 |
| R Factor (All) | 0.1550 |
| Weighted R Factor (Obs) | 0.3106 |
| Weighted R Factor (All) | 0.3358 |
Citation: Cheesewright, J.E. and Grossel, M.G. and Grossel, M.C. and Hursthouse, Michael B. and Coles, Simon J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/313)
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