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C~27~H~36~N~2~O~3~SSi

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
Date Created:06 December 1999
Deposited On:16 Feb 2010 11:03
Deposited By:Mr Steve Lamond

Depositor Comments

Poor data quality and some disorder of Si atom.

Data collection parameters

Chemical formulaC27 H35 N2 O3 S Si
Crystal morphology
Crystal systemmonoclinic
Space group symbolP2(1)/c
Cell length a10.825(2)
Cell length b25.393(5)
Cell length c11.392(2)
Cell angle alpha90.00
Cell angle beta115.93(3)
Cell angle gamma90.00
Data collection temperature293(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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