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Information card for entry 1554918
Preview
| Coordinates | 1554918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H27 Br F3 N3 O3 |
|---|---|
| Calculated formula | C35 H27 Br F3 N3 O3 |
| SMILES | Brc1ccc([C@H]2[C@@H](N[C@@]3(C(=O)N(c4ccccc34)Cc3ccccc3)[C@@]32C(=O)C(=O)N(C3)Cc2ccccc2)C(F)(F)F)cc1 |
| Title of publication | Diastereodivergent construction of bispiro[oxindole-bi-pyrrolidine]s with four consecutive stereocenters via asymmetric [3 + 2] cycloaddition of 2,3-dioxopyrrolidines using identical catalysts |
| Authors of publication | Zhao, Xiaoyun; Xiong, Jiale; An, Junkai; Yu, Jicong; Zhu, Liping; Feng, Xing; Jiang, Xianxing |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 1989 |
| a | 8.4795 ± 0.0001 Å |
| b | 18.0358 ± 0.0001 Å |
| c | 21.5437 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3294.78 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0591 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1511 |
| Weighted residual factors for all reflections included in the refinement | 0.1528 |
| 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 |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554918.cif |
| 238208 | 2019-11-24 | cif/ Adding structures of 1554918, 1554919 via cif-deposit CGI script. |
1554918.cif |
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Users of the data should acknowledge the original authors of the
structural data.