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Information card for entry 1520206
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Coordinates | 1520206.cif |
---|
Formula | C27 H35 O10.25 P S2 |
---|---|
Calculated formula | C27 H35 O10.17 P S2 |
SMILES | S(S(=O)(=O)[O-])CCC[P+](c1c(OC)cccc1OC)(c1c(OC)cccc1OC)c1c(OC)cccc1OC.O.O |
Title of publication | C27H35O10.25PS2 |
Authors of publication | Coles, Simon J.; Hursthouse, Michael B.; Bricklebank, Neil |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2008 |
Pages of publication | 450 |
a | 13.9991 ± 0.0002 Å |
b | 18.4241 ± 0.0002 Å |
c | 11.2873 ± 0.0001 Å |
α | 90° |
β | 99.134 ± 0.001° |
γ | 90° |
Cell volume | 2874.31 ± 0.06 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0467 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0839 |
Weighted residual factors for all reflections included in the refinement | 0.0894 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1520206.html
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Users of the data should acknowledge the original authors of the
structural data.