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Information card for entry 1519251
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Coordinates | 1519251.cif |
---|
Formula | C19 H14 Cl N2 P S Se |
---|---|
Calculated formula | C19 H14 Cl N2 P S Se |
SMILES | [Se]=P(N=C1Sc2cc(Cl)ccc2N1)(c1ccccc1)c1ccccc1 |
Title of publication | C19H14ClN2PSSe |
Authors of publication | Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2000 |
Pages of publication | 721 |
a | 16.4884 ± 0.0002 Å |
b | 10.8238 ± 0.0002 Å |
c | 10.8189 ± 0.0003 Å |
α | 90° |
β | 108.896 ± 0.001° |
γ | 90° |
Cell volume | 1826.76 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0375 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0736 |
Weighted residual factors for all reflections included in the refinement | 0.0772 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1519251.html
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Users of the data should acknowledge the original authors of the
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