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Information card for entry 8106590
Preview
| Coordinates | 8106590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H16 F6 N2 S2 |
|---|---|
| Calculated formula | C29 H16 F6 N2 S2 |
| Title of publication | The crystal structure of 1,2-bis[2-methyl-5-(3-cyanophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C29H16F6N2S2 |
| Authors of publication | Lei, Luo-Na; Xu, Wen-Yuan; Yi, Jian-Min |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 517 - 519 |
| a | 18.91 ± 0.003 Å |
| b | 8.572 ± 0.0014 Å |
| c | 16.757 ± 0.003 Å |
| α | 90° |
| β | 100.474 ± 0.002° |
| γ | 90° |
| Cell volume | 2671 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1304 |
| Residual factor for significantly intense reflections | 0.0825 |
| Weighted residual factors for significantly intense reflections | 0.1625 |
| Weighted residual factors for all reflections included in the refinement | 0.1833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280597 (current) | 2023-01-25 | cif/ Adding structures of 8106590 via cif-deposit CGI script. |
8106590.cif |
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Users of the data should acknowledge the original authors of the
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