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Information card for entry 2103477
Preview
Coordinates | 2103477.cif |
---|---|
Structure factors | 2103477.hkl |
Original IUCr paper | HTML |
Formula | C32 H40 N5 O6 P3 |
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Calculated formula | C32 H40 N5 O6 P3 |
SMILES | O.c1(ccccc1)P1(c2ccccc2)=NP2(=NP(=N1)(Nc1ccccc1)OCCOCCOCCOCCO2)Nc1ccccc1 |
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 | 10.519 ± 0.002 Å |
b | 12.694 ± 0.003 Å |
c | 14.34 ± 0.003 Å |
α | 114.81 ± 0.03° |
β | 93.81 ± 0.03° |
γ | 103.59 ± 0.03° |
Cell volume | 1659.6 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0514 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.1019 |
Weighted residual factors for all reflections included in the refinement | 0.1203 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.647 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2103477.html
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Users of the data should acknowledge the original authors of the
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