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Information card for entry 8106536
Preview
| Coordinates | 8106536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H16 Cl2 F6 S2 |
|---|---|
| Calculated formula | C27 H16 Cl2 F6 S2 |
| Title of publication | Structure and photochromism of 1,2-bis[2-methyl-5-(2-chlorophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C27H16Cl2F6S2 |
| Authors of publication | Wang, Jingcheng; Liu, Gang; Fan, Congbin; Pu, Shouzhi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 359 - 361 |
| a | 8.3612 ± 0.0005 Å |
| b | 11.8991 ± 0.0007 Å |
| c | 13.3979 ± 0.0007 Å |
| α | 94.667 ± 0.003° |
| β | 99.927 ± 0.003° |
| γ | 105.882 ± 0.003° |
| Cell volume | 1251.21 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0515 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.1345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280512 (current) | 2023-01-23 | cif/ Adding structures of 8106536 via cif-deposit CGI script. |
8106536.cif |
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Users of the data should acknowledge the original authors of the
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