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4-Nitrobenzoic acid 2-[4-(hydroxy-dimethyl-silanyl)-1-methyl-3-methylene-4-phenyl-cyclohexyloxy]-ethyl ester

Sample Originator: G. Perona.

Data Collection: Thomas Gelbricha

Structure Determination: Thomas Gelbricha.

University of Southamptona

C25H31NO6Si

InChI=1/C25H31NO6Si/c1-19-18-24(2,14-15-25(19,33(3,4)30)21-8-6-5-7-9-21)32-17-16-31-23(27)20-10-12-22(13-11-20)26(28)29/h5-13,30H,1,14-18H2,2-4H3

Identification Number:10.5258/ecrystals/534
Date Created:22 June 2000
Deposited On:21 Jul 2008 10:38
Deposited By:Dr Thomas Gelbrich

Data collection parameters

Chemical formulaC25 H31 N O6 Si
Crystal morphology
Crystal systemtriclinic
Space group symbolP-1
Cell length a7.9022(3)
Cell length b10.6116(4)
Cell length c15.3911(8)
Cell angle alpha104.3760(17)
Cell angle beta91.5070(15)
Cell angle gamma90.616(2)
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0727
R Factor (All)0.2022
Weighted R Factor (Obs)0.1133
Weighted R Factor (All)0.1274

Citation: Gelbrich, Thomas and Peron, G. and Hursthouse, Michael B. and Kilburn, Jeremy D. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/534)
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Available Files

Final Result

00sot065.cif17k
00sot065.cml9k
s92.fcf206k

Validation

00sot065_checkcif.htm11k

Processing

00sot065.htm6k
s92.hkl298k

Other Files

00sot065.mol5k
00sot065_ellipsoid.gif25k
pics.doc69k

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