00SRC478 (913) - C21H24BrNO
Sample Originator: Andy Peltera. Data Collection: Simon J. Colesb and Michael B. Hursthouseb Structure Determination: Simon J. Colesb. University College of Swanseaa
University of Southamptonb
C21H24BrNO InChI=1/C21H24BrNO/c1-3-23(4-2)21(24)19-13-15-5-6-16-8-10-18(20(22)14-16)12-11-17(19)9-7-15/h7-10,13-14H,3-6,11-12H2,1-2H3 | Identification Number: | 10.5258/ecrystals/777 |
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| Date Created: | 29 October 2000 |
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| Deposited On: | 25 Jun 2014 08:55 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C21 H24 Br N O | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | Cc | | Cell length a | 14.845(3) | | Cell length b | 15.000(3) | | Cell length c | 9.0450(18) | | Cell angle alpha | 90.00 | | Cell angle beta | 115.04(3) | | Cell angle gamma | 90.00 | | Data collection temperature | 150(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0481 | | R Factor (All) | 0.0613 | | Weighted R Factor (Obs) | 0.1076 | | Weighted R Factor (All) | 0.1159 |
Citation: Pelter, Andy and Coles, Simon J. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/777)
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