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Information card for entry 7157190
Preview
| Coordinates | 7157190.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H28 N3 O5 |
|---|---|
| Calculated formula | C28 H27 N3 O5 |
| Title of publication | Organocatalytic Enantioselective Aminoalkylation of Pyrazol-3-ones with Aldimines Generated in Situ from α‐Amido Sulfones |
| Authors of publication | Carceller-Ferrer, Laura; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, Jose R. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2019 |
| a | 33.8739 ± 0.0008 Å |
| b | 5.105 ± 0.0001 Å |
| c | 14.1957 ± 0.0003 Å |
| α | 90° |
| β | 95.465 ± 0.002° |
| γ | 90° |
| Cell volume | 2443.65 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223445 (current) | 2019-11-07 | cif/ Adding structures of 7157190 via cif-deposit CGI script. |
7157190.cif |
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Users of the data should acknowledge the original authors of the
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