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Information card for entry 8104965
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Coordinates | 8104965.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H28 O2 |
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Calculated formula | C22 H28 O2 |
Title of publication | Crystal structure of 2,6-di-tert-butyl-4-(4-methoxybenzylidene)cyclohexa-2,5-dien-1-one, C22H28O2 |
Authors of publication | Guo, Wei; Zhai, Pengda; Bai, Xiaofan; Li, Nan; Wu, Haixia; Zhang, Zhihui; He, Jingyu |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2022 |
Journal volume | 237 |
Journal issue | 1 |
Pages of publication | 75 - 77 |
a | 12.0841 ± 0.0009 Å |
b | 16.6946 ± 0.0012 Å |
c | 9.3837 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1893.1 ± 0.3 Å3 |
Cell temperature | 219.99 ± 0.1 K |
Ambient diffraction temperature | 219.99 ± 0.1 K |
Number of distinct elements | 3 |
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 | 0.0704 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.094 |
Weighted residual factors for all reflections included in the refinement | 0.1057 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0532 |
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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