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Information card for entry 8106721
Preview
Coordinates | 8106721.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H14 F6 O |
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Calculated formula | C21 H14 F6 O |
Title of publication | Crystal structure of 2,5-bis((E)-2-(trifluoromethyl)benzylidene)cyclopentan-1-one, C21H14F6O |
Authors of publication | Zhang, Wenxin; Qiu, Chenyu; Li, Shanshan; Zhou, Lina; Hu, Mengwei; Chen, Xiaojing; Yu, Bin; Hong, Yan; Liu, Zhiguo; Xia, Qinqin |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 6 |
Pages of publication | 921 - 922 |
a | 7.847 ± 0.0016 Å |
b | 7.939 ± 0.0016 Å |
c | 14.993 ± 0.003 Å |
α | 83.25 ± 0.03° |
β | 89.18 ± 0.03° |
γ | 73.79 ± 0.03° |
Cell volume | 890.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1659 |
Residual factor for significantly intense reflections | 0.0636 |
Weighted residual factors for significantly intense reflections | 0.1018 |
Weighted residual factors for all reflections included in the refinement | 0.1261 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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