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Information card for entry 8105711
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Coordinates | 8105711.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H25 Cl O |
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Calculated formula | C21 H25 Cl O |
Title of publication | Crystal structure of 2,6-di-tert-butyl-4-(4-chlorobenzylidene)cyclohexa-2,5-dien-1-one, C21H25ClO |
Authors of publication | Ding, Yue; Wang, Hongying; Zheng, Qin; Guo, Jiaojie; Zhang, Guangbo; Wang, Jing; Wang, Xiumin; Guo, Haibo |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2022 |
Journal volume | 237 |
Journal issue | 3 |
Pages of publication | 413 - 415 |
a | 14.152 ± 0.002 Å |
b | 22.112 ± 0.003 Å |
c | 6.0109 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1881 ± 0.4 Å3 |
Cell temperature | 149.99 ± 0.1 K |
Ambient diffraction temperature | 149.99 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0936 |
Residual factor for significantly intense reflections | 0.0586 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.1227 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/8105711.html
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