Sample Originator: Terence L. Threlfalla.
Data Collection: Michael B. Hursthousea
Structure Determination: Samantha K. Calleara.
University of Southamptona
C8H19NO7
InChI=1/2C4H12N.2C4H6O6.2H2O/c2*1-2-3-4-5;2*5-1(3(7)8)2(6)4(9)10;;/h2*2-4H2,1,5H3;2*1-2,5-6H,(H,7,8)(H,9,10);2*1H2/t;;2*1-,2-;;/m..10../s1
| Identification Number: | 10.5258/ecrystals/582 |
|---|
| Date Created: | 14 August 2008 |
|---|
| Deposited On: | 14 Apr 2009 20:34 |
|---|
| Deposited By: | Dr Samantha K Callear |
|---|
Data collection parameters
| Chemical formula | C8 H19 N O7 |
| Crystal morphology | Rod |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 7.388(3) |
| Cell length b | 14.227(5) |
| Cell length c | 21.744(8) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 93.87(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0516 |
| R Factor (All) | 0.0954 |
| Weighted R Factor (Obs) | 0.0952 |
| Weighted R Factor (All) | 0.1099 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. and Threlfall, Terence L. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/582)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
