Sample Originator: Donated Samplea.
Data Collection: Michael B. Hursthouseb and Susanne. L. Huthb
Structure Determination: Susanne. L. Huthb and J. Withnellb.
Sample kindly provided by Maybridgea
University of Southamptonb
C12H17BO4S
InChI=1/C12H17BO4S/c1-11(2)12(3,4)17-13(16-11)10-9-8(7-18-10)14-5-6-15-9/h7H,5-6H2,1-4H3
| Identification Number: | 10.5258/ecrystals/285 |
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| Date Created: | 27 February 2007 |
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| Deposited On: | 21 Jan 2008 15:31 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Depositor Comments
More information about this compound can be found at:
http://www.maybridge.com/
Data collection parameters
| Chemical formula | C12 H17 B O4 S |
| Crystal morphology | Cut Plate |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.8170(3) |
| Cell length b | 9.2412(2) |
| Cell length c | 10.0613(3) |
| Cell angle alpha | 85.450(2) |
| Cell angle beta | 67.970(2) |
| Cell angle gamma | 79.532(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0544 |
| R Factor (Obs) | 0.0509 |
| R Factor (All) | 0.0651 |
| Weighted R Factor (Obs) | 0.1061 |
| Weighted R Factor (All) | 0.1158 |
Citation: Sample, Donated and Hursthouse, Michael B. and Huth, Susanne. L. and Withnell, J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/285)
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