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Information card for entry 7156645
Preview
| Coordinates | 7156645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H40 N4 O6 |
|---|---|
| Calculated formula | C42 H40 N4 O6 |
| Title of publication | Pseudo five component reaction towards densely functionalized spiro[indole-3,2'-pyrrole] by picric acid, an efficient syn-diastereoselective catalyst: insight into the diastereoselection on C(sp<sup>3</sup>)-C(sp<sup>3</sup>) axial conformation. |
| Authors of publication | Sengupta, Ayon; Maity, Suvendu; Mondal, Animesh; Ghosh, Prasanta; Rudra, Sonali; Mukhopadhyay, Chhanda |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 5 |
| Pages of publication | 1254 - 1265 |
| a | 12.3922 ± 0.0004 Å |
| b | 12.8577 ± 0.0004 Å |
| c | 13.0925 ± 0.0004 Å |
| α | 81.681 ± 0.002° |
| β | 84.474 ± 0.002° |
| γ | 62.506 ± 0.002° |
| Cell volume | 1829.98 ± 0.1 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1522 |
| Residual factor for significantly intense reflections | 0.087 |
| Weighted residual factors for significantly intense reflections | 0.2418 |
| Weighted residual factors for all reflections included in the refinement | 0.2905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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. |
7156645.cif |
| 225099 | 2019-11-08 | cif/ Updating files of 7156645, 7156646, 7156647 Original log message: Adding full bibliography for 7156645--7156647.cif. |
7156645.cif |
| 212998 | 2019-01-11 | cif/ Adding structures of 7156645, 7156646, 7156647 via cif-deposit CGI script. |
7156645.cif |
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Users of the data should acknowledge the original authors of the
structural data.