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(3a-Methyl-1a-trimethylsilanyl-hexahydro-4,5-diaza-cyclopropa[c]pentalen-5-yl)-phenyl-methanone

Sample Originator: Lee Patienta.

Data Collection: Thomas Gelbricha

Structure Determination: Thomas Gelbricha.

University of Southamptona

C18H26N2OSi

InChI=1/C18H26N2OSi/c1-16-10-11-18(22(2,3)4)12-17(16,18)13-20(19-16)15(21)14-8-6-5-7-9-14/h5-9,19H,10-13H2,1-4H3

Identification Number:10.5258/ecrystals/532
Date Created:15 February 2001
Deposited On:21 Jul 2008 09:10
Deposited By:Dr Thomas Gelbrich

Data collection parameters

Chemical formulaC18 H26 N2 O Si
Crystal morphology
Crystal systemmonoclinic
Space group symbolP21/c
Cell length a21.2704(8)
Cell length b7.5887(2)
Cell length c11.2915(3)
Cell angle alpha90.00
Cell angle beta102.2340(10)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0490
R Factor (All)0.0889
Weighted R Factor (Obs)0.1003
Weighted R Factor (All)0.1115

Citation: Gelbrich, Thomas and Patient, Lee and Hursthouse, Michael B. and Kilburn, Jeremy D. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/532)
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Available Files

Final Result

00sot134.cif15k
00sot134.cml7k
s92.fcf127k

Validation

00sot134_checkcif.htm8k

Processing

s92.hkl358k

Other Files

00sot134.mol4k
00sot134_ellipsoid.gif20k
pics.doc94k
s92.ins7k

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