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Information card for entry 1554885
Preview
| Coordinates | 1554885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 Br2 Cl2 N2 O4 |
|---|---|
| Calculated formula | C20 H20 Br2 Cl2 N2 O4 |
| Title of publication | Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates. |
| Authors of publication | Shemet, Andrej; Sarlah, David; Carreira, Erick M. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 1878 - 1881 |
| a | 5.0746 ± 0.0009 Å |
| b | 14.828 ± 0.003 Å |
| c | 16.699 ± 0.003 Å |
| α | 65.191 ± 0.003° |
| β | 89.579 ± 0.004° |
| γ | 80.838 ± 0.003° |
| Cell volume | 1123.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1174 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238178 (current) | 2019-11-24 | cif/ Adding structures of 1554885 via cif-deposit CGI script. |
1554885.cif |
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Users of the data should acknowledge the original authors of the
structural data.