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Information card for entry 1519263
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| Coordinates | 1519263.cif |
|---|
| Formula | C19 H14 Cl N2 P S |
|---|---|
| Calculated formula | C19 H14 Cl N2 P S |
| SMILES | Clc1ccc2nc(sc2c1)NP(c1ccccc1)c1ccccc1 |
| Title of publication | C19H14ClN2PS |
| Authors of publication | Smith, Martin B.; Coles, Simon J.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2000 |
| Pages of publication | 1027 |
| a | 10.223 ± 0.002 Å |
| b | 17.348 ± 0.004 Å |
| c | 19.475 ± 0.004 Å |
| α | 90° |
| β | 94.73 ± 0.03° |
| γ | 90° |
| Cell volume | 3442.1 ± 1.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519263.cif |
| 135605 | 2015-05-06 | cif/ Adding structures of 1519263 via cif-deposit CGI script. |
1519263.cif |
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Users of the data should acknowledge the original authors of the
structural data.