Sample Originator: P J Murphyb.
Data Collection: Richard A Stephensona
Structure Determination: Richard A Stephensona and Michael B. Hursthousea.
University of Southamptona
University of Wales, Bangorb
C27H29N3O3
InChI=1/C27H29N3O3/c1-17-22(32)18(2)26(5)27(23(17)25(3,4)16-21(31)33-27)29-24(28-19-12-8-6-9-13-19)30(26)20-14-10-7-11-15-20/h6-15,18H,16H2,1-5H3,(H,28,29)/t18-,26+,27+/m1/s1
| Identification Number: | 10.5258/ecrystals/679 |
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| Controlled Keywords: | organic |
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| Date Created: | 02 April 2009 |
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| Deposited On: | 02 Apr 2009 17:04 |
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| Deposited By: | Dr Richard A Stephenson |
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Data collection parameters
| Chemical formula | C27 H29 N3 O3 |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 12.0632(15) |
| Cell length b | 17.471(2) |
| Cell length c | 11.7628(11) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 105.363(7) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1086 |
| R Factor (All) | 0.1906 |
| Weighted R Factor (Obs) | 0.1678 |
| Weighted R Factor (All) | 0.1953 |
Citation: Stephenson, Richard A and Murphy, P J and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/679)
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