C~47~H~45~NO~6~ - C47H45NO6
University of Leedsa
University of Southamptonb
C47H45NO6 InChI=1/C47H45NO6/c1-49-37-17-9-32(10-18-37)43(33-11-19-38(50-2)20-12-33)29-34-31-47(35-13-21-39(51-3)22-14-35,36-15-23-40(52-4)24-16-36)54-45-30-44(48-25-27-53-28-26-48)41-7-5-6-8-42(41)46(34)45/h5-24,29-30,34H,25-28,31H2,1-4H3/t34-/m1/s1 | Controlled Keywords: | organic compounds |
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| Date Created: | 29 October 2003 |
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| Deposited On: | 17 Feb 2010 14:38 |
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| Deposited By: | Mr Steve Lamond |
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Depositor CommentsAll hydrogen atoms were fixed. Data collection parameters| Chemical formula | C47 H45 N O6 | | Crystal morphology | | | Crystal system | Triclinic | | Space group symbol | P-1 | | Cell length a | 11.4901(2) | | Cell length b | 11.8161(4) | | Cell length c | 15.3291(5) | | Cell angle alpha | 76.218(2) | | Cell angle beta | 76.820(2) | | Cell angle gamma | 81.584(2) | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0510 | | R Factor (All) | 0.0877 | | Weighted R Factor (Obs) | 0.1039 | | Weighted R Factor (All) | 0.1173 |
Citation: Heron, Mark (B.M.) and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1081/)
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