Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C14H28N2O6
InChI=1/C6H10O4.2C4H10NO/c7-5(8)3-1-2-4-6(9)10;2*1-3-6-4-2-5-1/h7,9H,1-4H2;2*1-5H2/q-2;;/p-2
| Identification Number: | 10.5258/ecrystals/465 |
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| Date Created: | 09 June 2008 |
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| Deposited On: | 14 Jul 2008 22:08 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C14 H28 N2 O6 |
| Crystal morphology | Fragment |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 5.8219(3) |
| Cell length b | 7.4643(6) |
| Cell length c | 9.8058(7) |
| Cell angle alpha | 79.046(3) |
| Cell angle beta | 77.621(4) |
| Cell angle gamma | 81.676(4) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1403 |
| R Factor (All) | 0.1755 |
| Weighted R Factor (Obs) | 0.3577 |
| Weighted R Factor (All) | 0.3773 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/465)
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