Sample Originator: Anna K. Crofta.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Wales, Bangora
University of Southamptonb
C17H15Br
InChI=1/C17H15Br/c18-10-11-9-16-12-5-1-3-7-14(12)17(11)15-8-4-2-6-13(15)16/h1-8,11,16-17H,9-10H2/t11-,16-,17+/m0/s1
| Controlled Keywords: | enzyme catalysis, amino acids |
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| Date Created: | 01 February 2005 |
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| Deposited On: | 17 Feb 2010 13:08 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
Data collection parameters
| Chemical formula | C17 H15 Br |
| Crystal morphology | Cut Shard |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 8.4575(6) |
| Cell length b | 25.0260(15) |
| Cell length c | 6.5393(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 106.485(5) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0432 |
| R Factor (Obs) | 0.0464 |
| R Factor (All) | 0.0883 |
| Weighted R Factor (Obs) | 0.0873 |
| Weighted R Factor (All) | 0.1032 |
Citation: Croft, Anna K. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1114/)
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