Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C20H42N2O4
InChI=1/C8H20N.C4H4O4/c1-7(2,3)6-8(4,5)9;5-3(6)1-2-4(7)8/h6H2,1-5,9H3;1-2,5,7H/q;-2/p-2/b;2-1+
| Identification Number: | 10.5258/ecrystals/502 |
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| Date Created: | 10 July 2008 |
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| Deposited On: | 22 Jul 2008 16:11 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C20 H42 N2 O4 |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 11.569(10) |
| Cell length b | 6.307(5) |
| Cell length c | 16.676(13) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 101.54(5) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1926 |
| R Factor (All) | 0.4101 |
| Weighted R Factor (Obs) | 0.3174 |
| Weighted R Factor (All) | 0.4242 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/502)
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