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Information card for entry 1559530
Preview
| Coordinates | 1559530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-(2,2-dibromo-1-phenylcyclopropyl)ethanoic acid |
|---|---|
| Formula | C11 H10 Br2 O2 |
| Calculated formula | C11 Br2 O2 |
| SMILES | BrC1(Br)C(C1)(CC(=O)O)c1ccccc1 |
| Title of publication | Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes |
| Authors of publication | Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1991 |
| Journal volume | 45 |
| Pages of publication | 902 - 913 |
| a | 8.082 ± 0.001 Å |
| b | 15.591 ± 0.002 Å |
| c | 18.264 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2301.4 ± 0.6 Å3 |
| Ambient diffraction temperature | 133 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.65 |
| 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 |
|---|---|---|---|
| 259165 (current) | 2020-11-18 | cif/ Adding structures of 1559530 via cif-deposit CGI script. |
1559530.cif |
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