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Information card for entry 8106920
Preview
| Coordinates | 8106920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone |
|---|---|
| Formula | C14 H10 Cl2 O2 |
| Calculated formula | C14 H10 Cl2 O2 |
| SMILES | Clc1c(C(=O)C)ccc(Oc2ccc(Cl)cc2)c1 |
| Title of publication | The crystal structure of 1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone, C14H10Cl2O2 |
| Authors of publication | Lizhen, Chen; Jianlong, Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 497 - 498 |
| a | 5.8499 ± 0.0003 Å |
| b | 8.6822 ± 0.0004 Å |
| c | 24.6389 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1251.41 ± 0.11 Å3 |
| Cell temperature | 113.9 K |
| Ambient diffraction temperature | 113.9 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0743 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281812 (current) | 2023-03-10 | cif/ Adding structures of 8106920 via cif-deposit CGI script. |
8106920.cif |
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