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Information card for entry 7160524
Preview
| Coordinates | 7160524.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33.5 H27.5 Cl1.5 F N2 O3 |
|---|---|
| Calculated formula | C33.5 H27.5 Cl1.5 F N2 O3 |
| Title of publication | Organocatalytic Asymmetric Synthesis of Axially and Centrally Chiral Heterotriarylmethanes by Friedel-Crafts Reaction |
| Authors of publication | Min, Yang; Shen, Hanxiao; Huang, Shaoying; Gu, Haorui; Lin, Xufeng |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 11.5056 ± 0.0007 Å |
| b | 13.8298 ± 0.0008 Å |
| c | 18.2204 ± 0.0011 Å |
| α | 90° |
| β | 98.022 ± 0.002° |
| γ | 90° |
| Cell volume | 2870.9 ± 0.3 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1264 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299483 (current) | 2025-05-02 | cif/ Adding structures of 7160524 via cif-deposit CGI script. |
7160524.cif |
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Users of the data should acknowledge the original authors of the
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