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
C9H10O3
InChI=1/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2/t7-/m0/s1
| Identification Number: | 10.5258/ecrystals/365 |
|---|
| Date Created: | 07 June 2007 |
|---|
| Deposited On: | 31 Jan 2008 13:11 |
|---|
| 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 | C9 H10 O3 |
| Crystal morphology | Cut Rod |
| Crystal system | Tetragonal |
| Space group symbol | I4(1)/a |
| Cell length a | 22.5496(4) |
| Cell length b | 22.5496(4) |
| Cell length c | 6.3581(2) |
| 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 | 0.0572 |
| R Factor (Obs) | 0.0467 |
| R Factor (All) | 0.0720 |
| Weighted R Factor (Obs) | 0.1089 |
| Weighted R Factor (All) | 0.1221 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/365)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
