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Information card for entry 1543984
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| Coordinates | 1543984.cif |
|---|---|
| Structure factors | 1543984.hkl |
| Original IUCr paper | HTML |
| Chemical name | 10-Methyl-10<i>H</i>-phenothiazine |
|---|---|
| Formula | C13 H11 N S |
| Calculated formula | C13 H11 N S |
| SMILES | S1c2c(N(c3c1cccc3)C)cccc2 |
| Title of publication | 10-Methyl-10<i>H</i>-phenothiazine |
| Authors of publication | Malikireddy, Parvathi; Siddan, Gouthaman; Madurai, Sugunalakshmi; Chandramouleeswaran, Suvasini; Srinivasakannan, Lakshmi |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 8 |
| Pages of publication | x161299 |
| a | 11.6245 ± 0.0007 Å |
| b | 6.913 ± 0.0004 Å |
| c | 13.7792 ± 0.001 Å |
| α | 90° |
| β | 106.591 ± 0.002° |
| γ | 90° |
| Cell volume | 1061.2 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186050 (current) | 2016-08-27 | cif/ hkl/ Adding structures of 1543984 via cif-deposit CGI script. |
1543984.cif 1543984.hkl |
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Users of the data should acknowledge the original authors of the
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