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Information card for entry 7118757
Preview
| Coordinates | 7118757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Diarylmethine-substituted Oxindole 3ab |
|---|---|
| Formula | C38 H41 N O2 |
| Calculated formula | C38 H41 N O2 |
| SMILES | Oc1c(cc([C@H]([C@@]2(c3c(N(C2=O)CC=C)cccc3)c2ccccc2)c2ccccc2)cc1C(C)(C)C)C(C)(C)C |
| Title of publication | Bifunctional tertiary amine-squaramide catalyzed asymmetric catalytic 1,6-conjugate addition/aromatization of para-quinone methides with oxindoles. |
| Authors of publication | Deng, Yu-Hua; Zhang, Xiang-Zhi; Yu, Ke-Yin; Yan, Xu; Du, Ji-Yuan; Huang, Hanmin; Fan, Chun-An |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 22 |
| Pages of publication | 4183 - 4186 |
| a | 9.5705 ± 0.0003 Å |
| b | 20.6075 ± 0.0007 Å |
| c | 15.8172 ± 0.0004 Å |
| α | 90° |
| β | 90.295 ± 0.003° |
| γ | 90° |
| Cell volume | 3119.49 ± 0.16 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118757.cif |
| 181528 | 2016-04-05 | cif/ Updating files of 7118757 Original log message: Adding full bibliography for 7118757.cif. |
7118757.cif |
| 176486 | 2016-02-17 | cif/ Adding structures of 7118757 via cif-deposit CGI script. |
7118757.cif |
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Users of the data should acknowledge the original authors of the
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