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Information card for entry 1552989
Preview
| Coordinates | 1552989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H27 N O4 |
|---|---|
| Calculated formula | C27 H27 N O4 |
| SMILES | O=C1N(c2ccccc2[C@@]21[C@@H](C(=O)c1ccccc1)CC(=C[C@@H]2CC(=O)CC)C)C(=O)C |
| Title of publication | Trienamine catalysis with linear deconjugated 3,5-dienones |
| Authors of publication | Chen, Peng-Qiao; Xiao, You-Cai; Yue, Cai-Zhen; Chen, Ying-Chun |
| Journal of publication | Org. Chem. Front. |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | 490 |
| a | 10.3015 ± 0.0001 Å |
| b | 11.2459 ± 0.0001 Å |
| c | 19.9126 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2306.87 ± 0.04 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0332 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232936 (current) | 2019-11-23 | cif/ Adding structures of 1552989 via cif-deposit CGI script. |
1552989.cif |
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Users of the data should acknowledge the original authors of the
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