Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C11H13NO4
InChI=1/2C7H10N.2C4H4O4/c2*1-6-2-4-7(8)5-3-6;2*5-3(6)1-2-4(7)8/h2*2-5H,1,8H3;2*1-2H,(H,5,6)(H,7,8)/b;;2*2-1+
| Identification Number: | 10.5258/ecrystals/563 |
|---|
| Date Created: | 06 August 2008 |
|---|
| Deposited On: | 14 Apr 2009 20:50 |
|---|
| Deposited By: | Dr Samantha K Callear |
|---|
Data collection parameters
| Chemical formula | C11 H13 N O4 |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | P21/n |
| Cell length a | 9.2008(3) |
| Cell length b | 23.6311(10) |
| Cell length c | 10.4061(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.173(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0429 |
| R Factor (All) | 0.0816 |
| Weighted R Factor (Obs) | 0.0901 |
| Weighted R Factor (All) | 0.1067 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/563)
Export as: oreChem EndNote BibTeX ASCII Citation
