Sample Originator: Ray C.F. Jonesa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Loughborough Universitya
University of Southamptonb
C11H10N2O5
InChI=1/C11H11N2O5/c14-10-5-6-12(10)7-18-11(15)8-1-3-9(4-2-8)13(16)17/h1-4H,5-7H2,(H,16,17)
| Identification Number: | 10.5258/ecrystals/943 |
|---|
| Controlled Keywords: | heterocycles |
|---|
| Date Created: | 09 December 2002 |
|---|
| Deposited On: | 24 Sep 2013 22:22 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Data collection parameters
| Chemical formula | C11 H10 N2 O5 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.4038(5) |
| Cell length b | 7.5670(6) |
| Cell length c | 10.7531(11) |
| Cell angle alpha | 89.924(4) |
| Cell angle beta | 72.445(4) |
| Cell angle gamma | 73.549(6) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0315 |
| R Factor (Obs) | 0.0759 |
| R Factor (All) | 0.1517 |
| Weighted R Factor (Obs) | 0.1387 |
| Weighted R Factor (All) | 0.1693 |
Citation: Jones, Ray C.F. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/943)
Export as: oreChem EndNote BibTeX ASCII Citation
