Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C14H29NO4
InChI=1/C8H20N.2C6H10O4/c1-7(2,3)6-8(4,5)9;2*7-5(8)3-1-2-4-6(9)10/h6H2,1-5,9H3;2*7,9H,1-4H2/q;2*-2/p-2
| Identification Number: | 10.5258/ecrystals/510 |
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| Date Created: | 14 July 2008 |
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| Deposited On: | 14 Jul 2008 17:03 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C14 H29 N O4 |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 11.8885(5) |
| Cell length b | 6.2179(3) |
| Cell length c | 21.9459(9) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 104.852(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0791 |
| R Factor (All) | 0.1189 |
| Weighted R Factor (Obs) | 0.1339 |
| Weighted R Factor (All) | 0.1536 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/510)
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