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Information card for entry 4037926
Preview
| Coordinates | 4037926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H25 N3 |
|---|---|
| Calculated formula | C24 H25 N3 |
| SMILES | N1(c2ccccc2[C@@H]2N([C@H]1c1ccccc1N2C)[C@H](c1ccccc1)C)C |
| Title of publication | Chiral Synthesis of McGeachin-Type Bisaminals. |
| Authors of publication | Chen, Yang; Li, Siqi; Hou, Shili; Xu, Jiaxi; Yang, Zhanhui |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 7.9702 ± 0.0003 Å |
| b | 9.4474 ± 0.0003 Å |
| c | 12.8774 ± 0.0004 Å |
| α | 90° |
| β | 99.231 ± 0.003° |
| γ | 90° |
| Cell volume | 957.08 ± 0.06 Å3 |
| Cell temperature | 109.85 ± 0.1 K |
| Ambient diffraction temperature | 109.85 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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 |
|---|---|---|---|
| 248141 (current) | 2020-02-14 | cif/ Adding structures of 4037926 via cif-deposit CGI script. |
4037926.cif |
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