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Information card for entry 7160812
Preview
| Coordinates | 7160812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H20 O3 |
|---|---|
| Calculated formula | C21 H20 O3 |
| Title of publication | Synthesis of hexahydroisobenzofuran-1(3H)-ones via pyridine-boryl radical-catalyzed intramolecular cascade cyclization of alkene-tethered cyclobutyl ketones |
| Authors of publication | Yang, Xiao-Ye; Huang, Hua; Wu, Qiong; Tan, Yun-Xuan; Tian, Ping |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 11.4404 ± 0.0009 Å |
| b | 5.6542 ± 0.0004 Å |
| c | 13.137 ± 0.0009 Å |
| α | 90° |
| β | 103.208 ± 0.006° |
| γ | 90° |
| Cell volume | 827.3 ± 0.11 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302962 (current) | 2025-10-18 | cif/ Adding structures of 7160811, 7160812 via cif-deposit CGI script. |
7160812.cif |
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Users of the data should acknowledge the original authors of the
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