Sample Originator: Michael B. Hursthouse and Simon J. Coles.
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-/m1/s1
| Identification Number: | 10.5258/ecrystals/108 |
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| Date Created: | 28 July 2001 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
The title molecule, C27H36N2O6Si, contains a pair of fused tetrahydrofuran rings, symmetrically substituted by p-nitrophenyl groups at centres of R chirality. The crystal structure is composed of dimers interacting through -stacking to form columns.
Data collection parameters
| Chemical formula | C27 H36 N2 O6 Si |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.9703(16) |
| Cell length b | 12.128(2) |
| Cell length c | 14.121(3) |
| Cell angle alpha | 79.14(3) |
| Cell angle beta | 83.06(3) |
| Cell angle gamma | 77.29(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0672 |
| R Factor (Obs) | 0.0450 |
| R Factor (All) | 0.0576 |
| Weighted R Factor (Obs) | 0.1196 |
| Weighted R Factor (All) | 0.1278 |
Citation: Hursthouse, Michael B. and Coles, Simon J. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/108)
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