Sample Originator: Craig Buttsa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Exetera
University of Southamptonb
C25H44BrN2O0.50
InChI=1/C25H43N2.BrH.H2O/c1-3-5-7-9-11-13-17-21-26-23-27(25-20-16-15-19-24(25)26)22-18-14-12-10-8-6-4-2;;/h15-16,19-20,23H,3-14,17-18,21-22H2,1-2H3;1H;1H2
| Identification Number: | 10.5258/ecrystals/960 |
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| Controlled Keywords: | radical salts |
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| Date Created: | 29 January 2003 |
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| Deposited On: | 08 Nov 2013 16:20 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C25 H44 Br N2 O0.50 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 17.5547(10) |
| Cell length b | 8.8674(6) |
| Cell length c | 17.7449(12) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 110.858(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0425 |
| R Factor (Obs) | 0.0825 |
| R Factor (All) | 0.1165 |
| Weighted R Factor (Obs) | 0.1548 |
| Weighted R Factor (All) | 0.1680 |
Citation: Butts, Craig and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/960)
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