Sample Originator: Donated Samplea.
Data Collection: Susanne L. Huthb and Michael B. Hursthouseb
Structure Determination: Susanne L. Huthb.
Sample kindly provided by Maybridgea
University of Southamptonb
(C8H5NO4) . (H2O)
InChI=1/C8H5NO4.H2O/c10-8(11)5-4-7(13-9-5)6-2-1-3-12-6;/h1-4H,(H,10,11);1H2
| Identification Number: | 10.5258/ecrystals/372 |
|---|
| Date Created: | 08 June 2007 |
|---|
| Deposited On: | 31 Jan 2008 13:08 |
|---|
| Deposited By: | Mrs L. Susanne Coles (née) Huth |
|---|
Depositor Comments
More information about this compound can be found at:
http://www.maybridge.com/
Data collection parameters
| Chemical formula | C8 H7 N O5 |
| Crystal morphology | Plate |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 11.2506(4) |
| Cell length b | 7.8725(4) |
| Cell length c | 10.5817(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 115.098(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0409 |
| R Factor (Obs) | 0.0724 |
| R Factor (All) | 0.1231 |
| Weighted R Factor (Obs) | 0.1192 |
| Weighted R Factor (All) | 0.1428 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/372)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
