Sample Originator: Simon Aldridgea.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Oxforda
University of Southamptonb
C27H33B3O3
InChI=1/C27H33B3O3/c1-16-10-19(4)25(20(5)11-16)28-31-29(26-21(6)12-17(2)13-22(26)7)33-30(32-28)27-23(8)14-18(3)15-24(27)9/h10-15H,1-9H3
| Controlled Keywords: | heteroboranes |
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| Date Created: | 28 March 2003 |
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| Deposited On: | 16 Feb 2010 11:09 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogens were placed in idealised positions and refine dusing a riding model.
Data collection parameters
| Chemical formula | C27 H33 B3 O3 |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | C2/c |
| Cell length a | 8.8116(6) |
| Cell length b | 14.0610(15) |
| Cell length c | 19.943(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 101.333(6) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0881 |
| R Factor (All) | 0.1844 |
| Weighted R Factor (Obs) | 0.2380 |
| Weighted R Factor (All) | 0.2952 |
Citation: Aldridge, Simon and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1220/)
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