Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C11H14N2O9
InChI=1/C4H4O4.C3H6N2O/c5-3(6)1-2-4(7)8;6-3-4-1-2-5-3/h1-2,5,7H;4-5H,1-2H2/q-2;-1/b2-1-;
| Identification Number: | 10.5258/ecrystals/514 |
|---|
| Date Created: | 14 July 2008 |
|---|
| Deposited On: | 14 Jul 2008 17:44 |
|---|
| Deposited By: | Dr Samantha K Callear |
|---|
Data collection parameters
| Chemical formula | C11 H14 N2 O9 |
| Crystal morphology | Block |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 31.3779(13) |
| Cell length b | 12.3307(6) |
| Cell length c | 7.1600(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 92.968(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0990 |
| R Factor (All) | 0.1648 |
| Weighted R Factor (Obs) | 0.1681 |
| Weighted R Factor (All) | 0.2044 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/514)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
