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Information card for entry 7160221
Preview
| Coordinates | 7160221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H14 N2 O3 S |
|---|---|
| Calculated formula | C13 H14 N2 O3 S |
| Title of publication | Enantioselective synthesis of -(3-pyrrolyl)methanamines with aza-tetrasubstituted center under metal-free conditions |
| Authors of publication | Dolas, Atul Jankiram; Yadav, Jyothi; Nagare, Yadav Kacharu; Rangan, Krishnan; Iype, Eldhose; Kumar, Indresh |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 9.0312 ± 0.0002 Å |
| b | 16.1924 ± 0.0003 Å |
| c | 9.2203 ± 0.0002 Å |
| α | 90° |
| β | 97.644 ± 0.002° |
| γ | 90° |
| Cell volume | 1336.37 ± 0.05 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295829 (current) | 2024-11-08 | cif/ Adding structures of 7160220, 7160221, 7160222 via cif-deposit CGI script. |
7160221.cif |
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Users of the data should acknowledge the original authors of the
structural data.