Sample Originator: Michael Northa.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
University of Newcastlea
University of Southamptonb
C22H25N7O5
InChI=1/C22H25N7O5/c1-10(2)18(31)26-22-25-17-16(19(32)27-22)28(9-24-17)8-13(30)23-5-6-29-20(33)14-11-3-4-12(7-11)15(14)21(29)34/h3-4,9-12,14-15H,5-8H2,1-2H3,(H,23,30)(H2,25,26,27,31,32)/t11-,12+,14-,15+
| Identification Number: | 10.5258/ecrystals/749 |
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| Date Created: | 10 November 1998 |
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| Deposited On: | 14 Aug 2013 23:44 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C22 H25 N7 O5 |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 15.6546(4) |
| Cell length b | 12.8752(4) |
| Cell length c | 11.5653(6) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.682(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0583 |
| R Factor (All) | 0.0977 |
| Weighted R Factor (Obs) | 0.1330 |
| Weighted R Factor (All) | 0.1529 |
Citation: North, Michael and Light, Mark E. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/749)
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