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2,2-Dipenyl-4,6-cis-oxy(tetraethyleneoxy)-4,6-dimethoxycyclotriphosphazatriene

Sample Originator: R. A. Shawa, A. Kilicb, S. Beslib and David B. Daviesa.

Data Collection: Thomas A. Mayerc

Structure Determination: Michael B. Hursthousec and Simon J. Colesc.

Birkbeck College, University of Londona
Gebze Institute of Technologyb
University of Southamptonc

C22H32N3O7P3

InChI=1/C22H32N3O7P3/c1-26-34-23-33(21-9-5-3-6-10-21,22-11-7-4-8-12-22)24-35(25-34,27-2)32-20-18-30-16-14-28-13-15-29-17-19-31-34/h3-12H,13-20H2,1-2H3

Identification Number:10.5258/ecrystals/228
Controlled Keywords:phosphorus-nitrogen compounds, cyclophosphazenes, substituent basicity constants, molecular parameters
Date Created:17 June 2002
Deposited On:21 Jan 2008 15:29
Deposited By:A.N. Admin

Depositor Comments

Published in Acta Crystallogr.,Sect.B:Struct.Sci and has CCDC refcode = MUPRAQ

Data collection parameters

Chemical formulaC22 H32 N3 O7 P3
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a11.8293(2)
Cell length b10.3312(2)
Cell length c21.6318(5)
Cell angle alpha90.00
Cell angle beta100.2030(10)
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0518
R Factor (All)0.0793
Weighted R Factor (Obs)0.1322
Weighted R Factor (All)0.1525

Citation: Shaw, R. A. and Kilic, A. and Besli, S. and Davies, David B. and Mayer, Thomas A. and Hursthouse, Michael B. and Coles, Simon J. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/228)
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