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Information card for entry 8105538
Preview
Coordinates | 8105538.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H17 Cl F6 S2 |
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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 |
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The link is: https://www.crystallography.net/8105538.html
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