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Information card for entry 8106775
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Coordinates | 8106775.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H17 Cl O |
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Calculated formula | C18 H17 Cl O |
Title of publication | Crystal structure of (E)-3-(4-tert-butyl)phenyl)-1-(3-chlorophenyl)prop-2-en-1-one, C18H17CIO |
Authors of publication | Dong, Meng-Ya; Mei, Xiang-Dong; Li, Yao-Fa; Zhang, Lan-Xiang; Pan, Wen-Liang; Gao, Zhan-Lin; Ning, Jun |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 1 |
Pages of publication | 29 - 30 |
a | 5.9172 ± 0.0003 Å |
b | 7.5758 ± 0.0006 Å |
c | 33.1334 ± 0.0016 Å |
α | 90° |
β | 93.666 ± 0.005° |
γ | 90° |
Cell volume | 1482.25 ± 0.16 Å3 |
Cell temperature | 180 ± 0.1 K |
Ambient diffraction temperature | 180 ± 0.1 K |
Number of distinct elements | 4 |
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 | 0.0682 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
280880 (current) | 2023-02-14 | cif/ Adding structures of 8106775 via cif-deposit CGI script. |
8106775.cif |
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Users of the data should acknowledge the original authors of the
structural data.