Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C8H22N2O6
InChI=1/C6H18N2.C2H2O4.H2O/c1-7(2)5-6-8(3)4;3-1(4)2(5)6;/h7-8H,5-6H2,1-4H3;3,5H;1H2/q;-2;/p-2
| Identification Number: | 10.5258/ecrystals/491 |
|---|
| Date Created: | 10 July 2008 |
|---|
| Deposited On: | 14 Jul 2008 21:59 |
|---|
| Deposited By: | Dr Samantha K Callear |
|---|
Data collection parameters
| Chemical formula | C8 H22 N2 O6 |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 7.5550(3) |
| Cell length b | 10.9180(4) |
| Cell length c | 8.1170(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 111.565(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0323 |
| R Factor (All) | 0.0373 |
| Weighted R Factor (Obs) | 0.0793 |
| Weighted R Factor (All) | 0.0821 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/491)
Export as: oreChem EndNote BibTeX ASCII Citation
