Sample Originator: Ray Jonesa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
Loughborough Universitya
University of Southamptonb
C27H36N2O3SSi
InChI=1/C27H35N2O3SSi/c1-27(2,3)34(5,6)32-23-22(26(30)31-4)24-28(17-19-13-9-7-10-14-19)18-21(29(24)25(23)33)20-15-11-8-12-16-20/h7-16,18,21-24H,17H2,1-6H3/t21-,22+,23+,24+/m0/s1
| Controlled Keywords: | organosulfur compounds |
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| Date Created: | 06 December 1999 |
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| Deposited On: | 16 Feb 2010 11:03 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
Poor data quality and some disorder of Si atom.
Data collection parameters
| Chemical formula | C27 H35 N2 O3 S Si |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 10.825(2) |
| Cell length b | 25.393(5) |
| Cell length c | 11.392(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 115.93(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0984 |
| R Factor (All) | 0.2571 |
| Weighted R Factor (Obs) | 0.2527 |
| Weighted R Factor (All) | 0.3314 |
Citation: Jones, Ray and Coles, Simon J. and Hursthouse, Michael B. (1999) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1040/)
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