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Information card for entry 7160220
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| Coordinates | 7160220.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N2 O |
|---|---|
| Calculated formula | C20 H18 N2 O |
| 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 | 15.2367 ± 0.0005 Å |
| b | 15.2367 ± 0.0005 Å |
| c | 18.0166 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3622.3 ± 0.2 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0776 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.1747 |
| Weighted residual factors for all reflections included in the refinement | 0.1859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| 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. |
7160220.cif |
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Users of the data should acknowledge the original authors of the
structural data.