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Information card for entry 7241671
Preview
| Coordinates | 7241671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 N5 |
|---|---|
| Calculated formula | C16 H16 N5 |
| SMILES | N(C(Nc1ncccc1)c1ncccc1)c1ncccc1 |
| Title of publication | Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals |
| Authors of publication | Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 66 |
| Pages of publication | 40421 - 40427 |
| a | 16.876 ± 0.0003 Å |
| b | 8.689 ± 0.0001 Å |
| c | 19.621 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2877.14 ± 0.08 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.089 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for all reflections | 0.1778 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Goodness-of-fit parameter for all reflections | 1.112 |
| Goodness-of-fit parameter for significantly intense reflections | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259585 (current) | 2020-12-06 | cif/ Adding structures of 7241670, 7241671, 7241672, 7241673 via cif-deposit CGI script. |
7241671.cif |
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Users of the data should acknowledge the original authors of the
structural data.