Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C10H16N2O4
InChI=1/C5H9N2.C5H8O4/c1-5-6-3-4-7(5)2;6-4(7)2-1-3-5(8)9/h3-4,6H,1-2H3;1-3H2,(H,6,7)(H,8,9)
| Identification Number: | 10.5258/ecrystals/471 |
|---|
| Date Created: | 09 June 2008 |
|---|
| Deposited On: | 14 Jul 2008 22:04 |
|---|
| Deposited By: | Dr Samantha K Callear |
|---|
Data collection parameters
| Chemical formula | C10 H16 N2 O4 |
| Crystal morphology | Block |
| Crystal system | Orthorhombic |
| Space group symbol | Pna21 |
| Cell length a | 10.4056(16) |
| Cell length b | 22.888(4) |
| Cell length c | 4.6392(9) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0793 |
| R Factor (All) | 0.1527 |
| Weighted R Factor (Obs) | 0.1898 |
| Weighted R Factor (All) | 0.2225 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/471)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
