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Information card for entry 1559087
Preview
| Coordinates | 1559087.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-p-Chlorophenyl-3,3-dimethyl-1,1-dichlorocyclopropane |
|---|---|
| Formula | C11 H11 Cl3 |
| Calculated formula | C11 H11 Cl3 |
| SMILES | ClC1(Cl)C(C1(C)C)c1ccc(Cl)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 | 6.466 ± 0.002 Å |
| b | 14.172 ± 0.002 Å |
| c | 12.21 ± 0.006 Å |
| α | 90° |
| β | 94.04 ± 0.03° |
| γ | 90° |
| Cell volume | 1116.1 ± 0.7 Å3 |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.034 |
| 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 |
|---|---|---|---|
| 256424 (current) | 2020-09-15 | cif/ Adding structures of 1559087 via cif-deposit CGI script. |
1559087.cif |
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