Sample Originator: P J Murphya.
Data Collection: Richard Stephensonb
Structure Determination: Richard Stephensonb and Michael B. Hursthouseb.
University of Wales, Bangora
University of Southamptonb
C14H25N3O5
InChI=1/C14H27N3O5/c1-13(2,3)21-11(18)17-10-15-7-9(16-10)8-20-12(19)22-14(4,5)6/h9-10,15-16H,7-8H2,1-6H3,(H,17,18)/t9-,10?/m0/s1
| Identification Number: | 10.5258/ecrystals/259 |
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| Date Created: | 23 January 2007 |
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| Deposited On: | 21 Jan 2008 15:31 |
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| Deposited By: | Dr Richard A Stephenson |
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Data collection parameters
| Chemical formula | C14 H25 N3 O5 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.0231(6) |
| Cell length b | 9.1863(6) |
| Cell length c | 12.5757(9) |
| Cell angle alpha | 106.174(4) |
| Cell angle beta | 97.221(4) |
| Cell angle gamma | 110.245(4) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0883 |
| R Factor (All) | 0.1405 |
| Weighted R Factor (Obs) | 0.1374 |
| Weighted R Factor (All) | 0.1583 |
Citation: Murphy, P J and Stephenson, Richard and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/259)
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