Sample Originator: Robert S. Warda.
Data Collection: Michael B. Hursthouseb
Structure Determination: Michael B. Hursthouseb.
University College of Swanseaa
University of Southamptonb
C14H22BrNO3S
InChI=1/C14H22BrNO3S/c1-4-10(15)12(17)16-11-7-9-5-6-14(11,13(9,2)3)8-20(16,18)19/h9-11H,4-8H2,1-3H3/t9-,10-,11-,14-/m1/s1
| Identification Number: | 10.5258/ecrystals/1189 |
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| Controlled Keywords: | organic compounds |
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| Date Created: | 26 August 1993 |
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| Deposited On: | 16 Feb 2010 13:40 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C14 H22 Br N O3 S |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P21212 |
| Cell length a | 14.7756(8) |
| Cell length b | 14.178(3) |
| Cell length c | 7.7793(11) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0453 |
| R Factor (All) | 0.0621 |
| Weighted R Factor (Obs) | 0.1065 |
| Weighted R Factor (All) | 0.1268 |
Citation: Ward, Robert S. and Hursthouse, Michael B. (1993) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1189)
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