2007src0218 (MAB/DK8)
Sample Originator: Michael A. Becketta. Data Collection: Peter N. Hortonb Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb. University of Wales, Bangora
University of Southamptonb
C7H20B5NO11 InChI=1/C7H16NO.B5H4O10/c9-7-6-8-4-2-1-3-5-8;6-1-10-2(7)13-5(12-1)14-3(8)11-4(9)15-5/h8-9H,1-7H2;6-9H | Identification Number: | 10.5258/ecrystals/428 |
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| Controlled Keywords: | boron compounds, crystal structures of small organic molecules |
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| Date Created: | 19 May 2008 |
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| Deposited On: | 29 Jan 2010 16:19 |
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| Deposited By: | Dr Peter N Horton |
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Depositor CommentsUser refcode:- MAB/DK8 Data collection parameters| Chemical formula | C7 H20 B5 N O11 | | Crystal morphology | Plate | | Crystal system | monoclinic | | Space group symbol | C2 | | Cell length a | 14.7118(3) | | Cell length b | 11.4599(3) | | Cell length c | 9.8194(3) | | Cell angle alpha | 90.00 | | Cell angle beta | 103.911(2) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | 0.0282 | | R Factor (Obs) | 0.0599 | | R Factor (All) | 0.0721 | | Weighted R Factor (Obs) | 0.1566 | | Weighted R Factor (All) | 0.1702 |
Citation: Beckett, Michael A. and Horton, Peter N. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/428)
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