Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
(C10H22N2O6) . 3(H2O)
InChI=1/C6H18N2.C4H6O6.3H2O/c1-7(2)5-6-8(3)4;5-1(3(7)8)2(6)4(9)10;;;/h7-8H,5-6H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10);3*1H2/t;1-,2-;;;/m.0.../s1
| Identification Number: | 10.5258/ecrystals/452 |
|---|
| Date Created: | 04 June 2008 |
|---|
| Deposited On: | 14 Jul 2008 16:59 |
|---|
| Deposited By: | Dr Samantha K Callear |
|---|
Data collection parameters
| Chemical formula | C10 H28 N2 O9 |
| Crystal morphology | Lath |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 6.1179(14) |
| Cell length b | 8.672(2) |
| Cell length c | 15.182(8) |
| Cell angle alpha | 90.92(3) |
| Cell angle beta | 91.41(3) |
| Cell angle gamma | 99.79(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0436 |
| R Factor (All) | 0.0635 |
| Weighted R Factor (Obs) | 0.1017 |
| Weighted R Factor (All) | 0.1122 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/452)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
