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Information card for entry 1552976
Preview
| Coordinates | 1552976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H27 N O |
|---|---|
| Calculated formula | C28 H27 N O |
| SMILES | O=C1N2CC(c3ccccc3)(c3ccccc3)CC[C@@H]2C/C1=C/c1ccc(cc1)C |
| Title of publication | Highly enantioselective oxidative tandem cyclization reaction: a chiral ligand and an anion cooperatively control stereoselectivity |
| Authors of publication | He, Yu-Ping; Wu, Hua; Xu, Lue; Su, Yong-Liang; Gong, Liu-Zhu |
| Journal of publication | Org. Chem. Front. |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | 473 |
| a | 10.1946 ± 0.0001 Å |
| b | 10.6368 ± 0.0001 Å |
| c | 19.8674 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2154.38 ± 0.03 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 | 0.0291 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232922 (current) | 2019-11-23 | cif/ Adding structures of 1552976 via cif-deposit CGI script. |
1552976.cif |
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