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Information card for entry 7157772
Preview
| Coordinates | 7157772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H39 N3 O8 |
|---|---|
| Calculated formula | C43 H39 N3 O8 |
| SMILES | C1(=O)[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@@]1(C(=O)N(c3c1cccc3)C(=O)OC(C)(C)C)[C@@]1([C@@H]2c2ccccc2)C(=O)N(c2c1cccc2)C(=O)OC(C)(C)C.C1(=O)[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@]1(C(=O)N(c3c1cccc3)C(=O)OC(C)(C)C)[C@]1([C@H]2c2ccccc2)C(=O)N(c2c1cccc2)C(=O)OC(C)(C)C |
| Title of publication | A base-catalyzed domino reaction between isoindigos and α-alkylidene succinimides-convenient preparation of highly steric bispirooxindoles. |
| Authors of publication | Li, Chen-Yi; Xiang, Min; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 46 |
| Pages of publication | 9511 - 9515 |
| a | 41.0905 ± 0.0009 Å |
| b | 12.1637 ± 0.00011 Å |
| c | 21.1598 ± 0.0005 Å |
| α | 90° |
| β | 134.872 ± 0.004° |
| γ | 90° |
| Cell volume | 7495 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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 |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157772.cif |
| 260810 | 2021-01-07 | cif/ Updating files of 7157772 Original log message: Adding full bibliography for 7157772.cif. |
7157772.cif |
| 259453 | 2020-12-02 | cif/ Adding structures of 7157772 via cif-deposit CGI script. |
7157772.cif |
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Users of the data should acknowledge the original authors of the
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