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Information card for entry 8106859
Preview
| Coordinates | 8106859.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone |
|---|---|
| Formula | C14 H10 Cl2 O2 |
| Calculated formula | C14 H10 Cl2 O2 |
| SMILES | Clc1ccc(C(=O)C)c(Oc2ccc(Cl)cc2)c1 |
| Title of publication | The crystal structure of 1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone, C14H10Cl2O2 |
| Authors of publication | Jianlong, Wang; Lizhen, Chen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 309 - 310 |
| a | 13.448 ± 0.007 Å |
| b | 7.6635 ± 0.0005 Å |
| c | 13.638 ± 0.006 Å |
| α | 90° |
| β | 117.14 ± 0.06° |
| γ | 90° |
| Cell volume | 1250.8 ± 1.1 Å3 |
| Cell temperature | 104.8 K |
| Ambient diffraction temperature | 104.8 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 | 0.0384 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281694 (current) | 2023-03-07 | cif/ Adding structures of 8106859 via cif-deposit CGI script. |
8106859.cif |
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