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Information card for entry 7132139
Preview
| Coordinates | 7132139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H18 Br N3 O3 |
|---|---|
| Calculated formula | C23 H18 Br N3 O3 |
| SMILES | BrC1=C(c2n(ccc2)[C@@]2(c3ccccc3N(C2=O)C)[C@@H]1CN(=O)=O)c1ccccc1 |
| Title of publication | Sequential Organo and Metal Catalyzed Reaction Between 3-Pyrrolyloxindoles and Linear Nitroenynes: Access to Cyclic Aza-Spirooxindoles |
| Authors of publication | Biswas, Subhankar; Purkayastha, Siddhartha Kumar; Guha, Ankur Kanti; Pan, Subhas Chandra |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 7.7574 ± 0.0007 Å |
| b | 13.918 ± 0.0014 Å |
| c | 9.8197 ± 0.0009 Å |
| α | 90° |
| β | 107.102 ± 0.003° |
| γ | 90° |
| Cell volume | 1013.33 ± 0.17 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0257 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.709 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286356 (current) | 2023-09-16 | cif/ Adding structures of 7132138, 7132139 via cif-deposit CGI script. |
7132139.cif |
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Users of the data should acknowledge the original authors of the
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