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 |
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| Controlled Keywords: | phosphorus-nitrogen compounds, cyclophosphazenes, substituent basicity constants, molecular parameters |
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| Date Created: | 17 June 2002 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
Published in Acta Crystallogr.,Sect.B:Struct.Sci and has CCDC refcode = MUPRAQ
Data collection parameters
| Chemical formula | C22 H32 N3 O7 P3 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 11.8293(2) |
| Cell length b | 10.3312(2) |
| Cell length c | 21.6318(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 100.2030(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(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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