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Information card for entry 1550946
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| Coordinates | 1550946.cif |
|---|---|
| Structure factors | 1550946.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,5-Dichloro-3',4'-dimethoxybiphenyl |
|---|---|
| Formula | C14 H12 Cl2 O2 |
| Calculated formula | C14 H12 Cl2 O2 |
| SMILES | Clc1cc(cc(Cl)c1)c1cc(c(cc1)OC)OC |
| Title of publication | 3,5-Dichloro-3',4'-dimethoxybiphenyl |
| Authors of publication | Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 4 |
| Pages of publication | x190518 |
| a | 10.8596 ± 0.001 Å |
| b | 15.1262 ± 0.001 Å |
| c | 7.904 ± 0.0003 Å |
| α | 90° |
| β | 103.749 ± 0.01° |
| γ | 90° |
| Cell volume | 1261.14 ± 0.16 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 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 | 0.0376 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214797 (current) | 2019-04-26 | cif/ hkl/ Adding structures of 1550946 via cif-deposit CGI script. |
1550946.cif 1550946.hkl |
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Users of the data should acknowledge the original authors of the
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