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Information card for entry 1548832
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| Coordinates | 1548832.cif |
|---|---|
| Structure factors | 1548832.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole |
|---|---|
| Formula | C14 H8 N2 S Se |
| Calculated formula | C14 H8 N2 S Se |
| Title of publication | Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole |
| Authors of publication | Schollmeyer, Dieter; Detert, Heiner |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | x180070 |
| a | 20.8533 ± 0.0008 Å |
| b | 9.9698 ± 0.0003 Å |
| c | 23.4151 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4868.1 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1285 |
| Residual factor for significantly intense reflections | 0.08 |
| Weighted residual factors for significantly intense reflections | 0.1576 |
| Weighted residual factors for all reflections included in the refinement | 0.189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205884 (current) | 2018-01-30 | cif/ hkl/ Adding structures of 1548832 via cif-deposit CGI script. |
1548832.cif 1548832.hkl |
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