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Information card for entry 8105493
Preview
| Coordinates | 8105493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H12 F6 N2 S |
|---|---|
| Calculated formula | C20 H12 F6 N2 S |
| Title of publication | Crystal structure of 4-(2-(benzo[b]thiophen-2-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl)-1,5-dimethyl-1H-pyrrole-2-carbonitrile, C20H12F6N2S |
| Authors of publication | Li, Ying |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 6 |
| Pages of publication | 1457 - 1459 |
| a | 8.2091 ± 0.0009 Å |
| b | 13.9215 ± 0.0016 Å |
| c | 16.528 ± 0.0019 Å |
| α | 90° |
| β | 94.067 ± 0.001° |
| γ | 90° |
| Cell volume | 1884.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0499 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1147 |
| Weighted residual factors for all reflections included in the refinement | 0.1226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276224 (current) | 2022-06-24 | cif/ Adding structures of 8105493 via cif-deposit CGI script. |
8105493.cif |
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