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Information card for entry 7245687
Preview
| Coordinates | 7245687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 N4 |
|---|---|
| Calculated formula | C21 H18 N4 |
| Title of publication | Condensation of acrylonitrile and aryl acetonitrile: construction of α-amino-β-cyano cyclohexene skeletons |
| Authors of publication | Zhang, Wei; Tang, Chuan-Su; Xiang, Shi-Qun |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 46 |
| Pages of publication | 29840 - 29843 |
| a | 6.1541 ± 0.0002 Å |
| b | 16.16 ± 0.0008 Å |
| c | 18.3677 ± 0.0009 Å |
| α | 68.234 ± 0.005° |
| β | 89.533 ± 0.004° |
| γ | 84.56 ± 0.004° |
| Cell volume | 1688.08 ± 0.14 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0721 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.1516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278638 (current) | 2022-10-19 | cif/ Adding structures of 7245686, 7245687 via cif-deposit CGI script. |
7245687.cif |
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Users of the data should acknowledge the original authors of the
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