Di-1,1,3,3-tetramethylbutylammonium glutarate hemiglutaric acid
Sample Originator: Samantha K. Calleara and Michael B. Hursthousea. Data Collection: Samantha K. Calleara Structure Determination: Samantha K. Calleara. University of Southamptona
C47H100N4O12 InChI=1/C8H20N.2C5H8O4/c1-7(2,3)6-8(4,5)9;2*6-4(7)2-1-3-5(8)9/h6H2,1-5,9H3;2*6,8H,1-3H2/q;2*-2/p-2 | Identification Number: | 10.5258/ecrystals/524 |
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| Date Created: | 14 July 2008 |
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| Deposited On: | 14 Jul 2008 17:33 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters| Chemical formula | C47 H100 N4 O12 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | C2 | | Cell length a | 23.089(7) | | Cell length b | 6.403(2) | | Cell length c | 18.496(6) | | Cell angle alpha | 90.00 | | Cell angle beta | 94.025(3) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0498 | | R Factor (All) | 0.0581 | | Weighted R Factor (Obs) | 0.1268 | | Weighted R Factor (All) | 0.1331 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/524)
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