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Information card for entry 8105581
Preview
Coordinates | 8105581.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H14 F6 N2 O S |
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Calculated formula | C19 H14 F6 N2 O S |
Title of publication | Crystal structure and photochromism of 1-(2-ethyl-5-formylthiophen-3yl)-2-(2-cyano-1,5-dimethyl-4-pyrrl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C19H14F6N2OS |
Authors of publication | Huang, Xiaoqin; Zheng, Chunhong; Pu, Shouzhi |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 234 |
Journal issue | 1 |
Pages of publication | 181 - 183 |
a | 16.534 ± 0.002 Å |
b | 9.3008 ± 0.0012 Å |
c | 12.7681 ± 0.0016 Å |
α | 90° |
β | 95.095 ± 0.002° |
γ | 90° |
Cell volume | 1955.7 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0735 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.1264 |
Weighted residual factors for all reflections included in the refinement | 0.1471 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/8105581.html
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