Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C10H15NO5
InChI=1/C10H17NO5/c1-14-9(12)7-8(10(13)15-2)11-3-5-16-6-4-11/h8H,3-7H2,1-2H3/t8-/m1/s1
| Identification Number: | 10.5258/ecrystals/500 |
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| Date Created: | 10 July 2008 |
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| Deposited On: | 14 Jul 2008 17:51 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C10 H17 N O5 |
| Crystal morphology | Needle |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 5.7683(9) |
| Cell length b | 13.702(3) |
| Cell length c | 14.442(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.458(11) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1456 |
| R Factor (All) | 0.2800 |
| Weighted R Factor (Obs) | 0.2528 |
| Weighted R Factor (All) | 0.3147 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/500)
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