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Information card for entry 8107435
Preview
| Coordinates | 8107435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 F6 S2 |
|---|---|
| Calculated formula | C20 H14 F6 S2 |
| Title of publication | Crystal structure of photochromic 3-(5-(2,5-dimethylthiophen-3-yl)-2,2,3,3,4,4-hexafluorocyclopentyl)-2-methylbenzo[b]-thiophene, C20H14F6S2 |
| Authors of publication | Duan, Xianzhi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 343 - 344 |
| a | 8.6105 ± 0.0019 Å |
| b | 11.027 ± 0.003 Å |
| c | 11.485 ± 0.003 Å |
| α | 87.191 ± 0.003° |
| β | 69.13 ± 0.002° |
| γ | 69.679 ± 0.002° |
| Cell volume | 952 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0397 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285032 (current) | 2023-07-06 | cif/ Adding structures of 8107435 via cif-deposit CGI script. |
8107435.cif |
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Users of the data should acknowledge the original authors of the
structural data.