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Information card for entry 8106775
Preview
| Coordinates | 8106775.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 Cl O |
|---|---|
| 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.