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Information card for entry 7224581
Preview
| Coordinates | 7224581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H18 N O3 |
|---|---|
| Calculated formula | C15 H17 N O3 |
| SMILES | N1(C(=O)[C@@]2(C[C@](O)(CC(=O)C2)C)c2ccccc12)C |
| Title of publication | Dinuclear Zinc Catalyzed Desymmetric Intramolecular Aldolization: An Enantioselective Construction of Spiro[Cyclohexanone-Oxindole] Derivatives |
| Authors of publication | Zhang, Ya-Fei; Yin, Shao-Jie; Zhao, Min; Zhang, Jun-Qi; Li, Hai-Yan; Wang, Xingwang |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 5.937 ± 0.0003 Å |
| b | 5.9425 ± 0.0003 Å |
| c | 10.0505 ± 0.0007 Å |
| α | 105.428 ± 0.004° |
| β | 101.284 ± 0.004° |
| γ | 99.757 ± 0.003° |
| Cell volume | 325.87 ± 0.03 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1544 |
| Weighted residual factors for all reflections included in the refinement | 0.1544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178141 (current) | 2016-03-11 | cif/ Adding structures of 7224581 via cif-deposit CGI script. |
7224581.cif |
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Users of the data should acknowledge the original authors of the
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