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Information card for entry 7156926
Preview
| Coordinates | 7156926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H18 Br N3 O2 |
|---|---|
| Calculated formula | C25 H18 Br N3 O2 |
| Title of publication | Organocatalytic asymmetric synthesis of dihydrofuran-spirooxindoles from benzylidene malononitriles and dioxindoles. |
| Authors of publication | Balha, Megha; Mondal, Buddhadeb; Pan, Subhas Chandra |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 27 |
| Pages of publication | 6557 - 6561 |
| a | 9.925 ± 0.004 Å |
| b | 13.094 ± 0.005 Å |
| c | 16.855 ± 0.006 Å |
| α | 90° |
| β | 105.017 ± 0.012° |
| γ | 90° |
| Cell volume | 2115.6 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7156926.cif |
| 225064 | 2019-11-08 | cif/ Updating files of 7156926 Original log message: Adding full bibliography for 7156926.cif. |
7156926.cif |
| 216098 | 2019-06-19 | cif/ Adding structures of 7156926 via cif-deposit CGI script. |
7156926.cif |
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Users of the data should acknowledge the original authors of the
structural data.