Sample Originator: Michael B. Hursthouse and Mark E. Light.
C27H36N2O6Si
InChI=1/C27H36N2O6Si/c1-17(2)36(18(3)4,19(5)6)27-15-24(20-7-11-22(12-8-20)28(30)31)34-26(27)35-25(16-27)21-9-13-23(14-10-21)29(32)33/h7-14,17-19,24-26H,15-16H2,1-6H3/t24-,25+,26+,27+
| Identification Number: | 10.5258/ecrystals/124 |
|---|
| Date Created: | 18 July 2001 |
|---|
| Deposited On: | 21 Jan 2008 15:29 |
|---|
| Deposited By: | A.N. Admin |
|---|
Depositor Comments
In the title compound, C27H36N2O6Si, the angle between the two least-squares planes of the nitrophenyl groups is 34.65 (9)°. Owing to the presence of an approximate non-crystallographic mirror plane, the title compound is an example of an achiral molecule crystallizing in a chiral space group.
Data collection parameters
| Chemical formula | C27 H36 N2 O6 Si |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 11.4829(3) |
| Cell length b | 14.5419(3) |
| Cell length c | 15.7595(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1167 |
| R Factor (Obs) | 0.0307 |
| R Factor (All) | 0.0363 |
| Weighted R Factor (Obs) | 0.0722 |
| Weighted R Factor (All) | 0.0738 |
Citation: Hursthouse, Michael B. and Light, Mark E. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/124)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
