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Information card for entry 8105538
Preview
| Coordinates | 8105538.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H17 Cl F6 S2 |
|---|---|
| Calculated formula | C27 H17 Cl F6 S2 |
| Title of publication | Structure and photochromism of 1-[2-methyl-5-phenyl-3-thienyl]-2-[2-methyl-5-(4-chlorophenyl)-3-thienyl]3,3,4,4,5,5-hexafluorocyclopent-1-ene, C27H16ClF6S2 |
| Authors of publication | Liu, Fangfang; Li, Hui; Pu, Shouzhi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 49 - 51 |
| a | 24.1193 ± 0.0005 Å |
| b | 9.2419 ± 0.0002 Å |
| c | 10.8343 ± 0.0002 Å |
| α | 90° |
| β | 96.126 ± 0.001° |
| γ | 90° |
| Cell volume | 2401.26 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.701 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276290 (current) | 2022-06-27 | cif/ Adding structures of 8105538 via cif-deposit CGI script. |
8105538.cif |
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Users of the data should acknowledge the original authors of the
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