Information card for entry 2103476
Formula |
C22 H32 N3 O7 P3 |
Calculated formula |
C22 H32 N3 O7 P3 |
SMILES |
COP12=NP(=NP(c3ccccc3)(c3ccccc3)=N1)(OC)OCCOCCOCCOCCO2 |
Title of publication |
Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants |
Authors of publication |
Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A. |
Journal of publication |
Acta Crystallographica Section B |
Year of publication |
2002 |
Journal volume |
58 |
Journal issue |
6 |
Pages of publication |
1067 - 1073 |
a |
11.8293 ± 0.0002 Å |
b |
10.3312 ± 0.0002 Å |
c |
21.6318 ± 0.0005 Å |
α |
90° |
β |
100.203 ± 0.001° |
γ |
90° |
Cell volume |
2601.84 ± 0.09 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0793 |
Residual factor for significantly intense reflections |
0.0518 |
Weighted residual factors for significantly intense reflections |
0.1322 |
Weighted residual factors for all reflections included in the refinement |
0.1525 |
Goodness-of-fit parameter for all reflections included in the refinement |
1 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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