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Information card for entry 7158785
Preview
| Coordinates | 7158785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H40 Br N3 O5 S |
|---|---|
| Calculated formula | C42 H40 Br N3 O5 S |
| Title of publication | Aminocatalytic asymmetric [4+2]-annulation to access functionally rich hexahydrospiroindole pyrazolones |
| Authors of publication | Madavi, Shiva Prasad; Murugesan, Sivaprakash; Alagarsamy, Palanichamy |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2022 |
| a | 13.659 ± 0.007 Å |
| b | 17.867 ± 0.009 Å |
| c | 31.896 ± 0.016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7784 ± 7 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 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 | 0.1354 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276872 (current) | 2022-07-23 | cif/ Adding structures of 7158785 via cif-deposit CGI script. |
7158785.cif |
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Users of the data should acknowledge the original authors of the
structural data.