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Information card for entry 1559088
Preview
| Coordinates | 1559088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-p-Chlorophenyl-3,3-dimethyl-1,1-dimethoxycyclopropane |
|---|---|
| Formula | C13 H17 Cl O2 |
| Calculated formula | C13 H17 Cl O2 |
| SMILES | Clc1ccc(C2C(OC)(OC)C2(C)C)cc1 |
| Title of publication | The Crystal Structures of 2-Phenyl-3,3-dimethyl-1,1-dichlorocyclopropane (I), 2-p-Chlorophenyl-3,3-dimethyl-1,1-dichlorocyclopropane (II) and 2-p-Chlorophenyl-3,3-dimethyl-1,1-dimethoxycyclopropane (III) |
| Authors of publication | Søtofte, Inger; Crossland, Ingolf |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1992 |
| Journal volume | 46 |
| Pages of publication | 131 - 137 |
| a | 7.396 ± 0.002 Å |
| b | 10.796 ± 0.004 Å |
| c | 17.56 ± 0.012 Å |
| α | 106.73 ± 0.04° |
| β | 95.84 ± 0.04° |
| γ | 104 ± 0.03° |
| Cell volume | 1280.5 ± 1.1 Å3 |
| Ambient diffraction temperature | 124 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256425 (current) | 2020-09-15 | cif/ Adding structures of 1559088 via cif-deposit CGI script. |
1559088.cif |
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