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Information card for entry 7160823
Preview
| Coordinates | 7160823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H25 F N2 O2 |
|---|---|
| Calculated formula | C25 H25 F N2 O2 |
| Title of publication | Redox-neutral rhodium(III)-catalyzed [4+1] annulation between N-aryl phthalazinediones and α,α-difluoromethylene alkynes for the synthesis of functionalized indazolo[1,2-b]phthalazine-6,11diones |
| Authors of publication | Jia, Xiuwen; Li, Pinyi; Zhao, Fei; Liu, Siyu |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 11.086 ± 0.002 Å |
| b | 8.3538 ± 0.0009 Å |
| c | 22.882 ± 0.004 Å |
| α | 90° |
| β | 94.994 ± 0.014° |
| γ | 90° |
| Cell volume | 2111.1 ± 0.6 Å3 |
| Cell temperature | 100.1 ± 0.5 K |
| Ambient diffraction temperature | 100.1 ± 0.5 K |
| Number of distinct elements | 5 |
| 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 | 0.1181 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1475 |
| Weighted residual factors for all reflections included in the refinement | 0.1891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303055 (current) | 2025-10-28 | cif/ Adding structures of 7160823 via cif-deposit CGI script. |
7160823.cif |
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