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Information card for entry 1554898
Preview
| Coordinates | 1554898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 Br Cl N O3 |
|---|---|
| Calculated formula | C13 H15 Br Cl N O3 |
| 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 | 16.929 ± 0.008 Å |
| b | 4.841 ± 0.002 Å |
| c | 36.446 ± 0.016 Å |
| α | 90° |
| β | 101.211 ± 0.009° |
| γ | 90° |
| Cell volume | 2930 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.144 |
| Residual factor for significantly intense reflections | 0.0989 |
| Weighted residual factors for significantly intense reflections | 0.2008 |
| Weighted residual factors for all reflections included in the refinement | 0.2163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238188 (current) | 2019-11-24 | cif/ Adding structures of 1554898 via cif-deposit CGI script. |
1554898.cif |
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Users of the data should acknowledge the original authors of the
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