Sample Originator: Terence L. Threlfalla.
Data Collection: Michael B. Hursthousea
Structure Determination: Samantha K. Calleara.
University of Southamptona
C11H23NO7
InChI=1/C7H16N.C4H6O6.H2O/c1-2-4-6-8-7-5-3-1;5-1(3(7)8)2(6)4(9)10;/h1-8H2;1-2,5-7,9H;1H2/q;-2;/p-1/t;1-,2-;/m.0./s1
| Identification Number: | 10.5258/ecrystals/586 |
|---|
| Date Created: | 14 August 2008 |
|---|
| Deposited On: | 14 Apr 2009 20:16 |
|---|
| Deposited By: | Dr Samantha K Callear |
|---|
Data collection parameters
| Chemical formula | C11 H23 N O7 |
| Crystal morphology | Plate |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.3930(10) |
| Cell length b | 8.215(4) |
| Cell length c | 23.323(16) |
| Cell angle alpha | 90.87(3) |
| Cell angle beta | 98.16(2) |
| Cell angle gamma | 99.94(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0588 |
| R Factor (All) | 0.1192 |
| Weighted R Factor (Obs) | 0.1257 |
| Weighted R Factor (All) | 0.1525 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. and Threlfall, Terence L. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/586)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
