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Information card for entry 7132205
Preview
| Coordinates | 7132205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H21 F3 O6 |
|---|---|
| Calculated formula | C28 H21 F3 O6 |
| Title of publication | Phosphine-catalyzed Formal Buchner [6+1] Annulation: De Novo Construction of Cycloheptatrienes |
| Authors of publication | Lai, Jingxiong; Huang, You |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 15.8322 ± 0.0006 Å |
| b | 13.7887 ± 0.0004 Å |
| c | 10.6237 ± 0.0004 Å |
| α | 90° |
| β | 92.72 ± 0.004° |
| γ | 90° |
| Cell volume | 2316.6 ± 0.14 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0583 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286930 (current) | 2023-10-13 | cif/ Adding structures of 7132205 via cif-deposit CGI script. |
7132205.cif |
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