Sample Originator: Simon Aldridgea.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
University of Oxforda
University of Southamptonb
C27H36BClF2N2
InChI=1/C27H36BF2N2.ClH/c1-17(2)21-11-9-12-22(18(3)4)25(21)31-15-16-32(27(31)28(29)30)26-23(19(5)6)13-10-14-24(26)20(7)8;/h9-20H,1-8H3;1H
| Identification Number: | 10.5258/ecrystals/618 |
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| Date Created: | 13 November 2008 |
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| Deposited On: | 15 Nov 2009 17:46 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C27 H36 B Cl F2 N2 |
| Crystal morphology | Block |
| Crystal system | monoclinic |
| Space group symbol | P2/n |
| Cell length a | 12.4636(8) |
| Cell length b | 7.3364(8) |
| Cell length c | 15.1611(16) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.529(6) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1746 |
| R Factor (All) | 0.3297 |
| Weighted R Factor (Obs) | 0.2436 |
| Weighted R Factor (All) | 0.3107 |
Citation: Aldridge, Simon and Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/618)
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