Sample Originator: Michael B. Hursthousea and Terence L. Threlfalla.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C24H51NO14
InChI=1/C16H36N.C4H6O6.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;5-1(3(7)8)2(6)4(9)10;/h5-16H2,1-4H3;1-2,5-7,9H;1H2/q;-2;/t;1-,2-;/m.1./s1
| Identification Number: | 10.5258/ecrystals/576 |
|---|
| Date Created: | 14 August 2008 |
|---|
| Deposited On: | 14 Apr 2009 20:33 |
|---|
| Deposited By: | Dr Samantha K Callear |
|---|
Data collection parameters
| Chemical formula | C24 H51 N O14 |
| Crystal morphology | Plate |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.3454(19) |
| Cell length b | 9.3736(19) |
| Cell length c | 17.624(4) |
| Cell angle alpha | 78.41(3) |
| Cell angle beta | 78.45(3) |
| Cell angle gamma | 89.86(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1106 |
| R Factor (All) | 0.2391 |
| Weighted R Factor (Obs) | 0.2479 |
| Weighted R Factor (All) | 0.2993 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. and Threlfall, Terence L. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/576)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
