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Information card for entry 7236203
Preview
| Coordinates | 7236203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H18 Cl N3 O |
|---|---|
| Calculated formula | C26 H18 Cl N3 O |
| Title of publication | Base-mediated synthesis of highly functionalized 2-aminonicotinonitriles from α-keto vinyl azides and α,α-dicyanoalkenes |
| Authors of publication | Shu, Ke; Shao, Jiaan; Li, Hong; Chen, Binhui; Tang, Pai; Liu, Xingyu; Chen, Wenteng; Yu, Yongping |
| Journal of publication | RSC Advances |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 54 |
| Pages of publication | 49123 |
| a | 12.1894 ± 0.0009 Å |
| b | 9.6526 ± 0.0007 Å |
| c | 20.0169 ± 0.0017 Å |
| α | 90° |
| β | 109.306 ± 0.006° |
| γ | 90° |
| Cell volume | 2222.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.0906 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235260 (current) | 2019-11-23 | cif/ Adding structures of 7236203 via cif-deposit CGI script. |
7236203.cif |
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Users of the data should acknowledge the original authors of the
structural data.