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Information card for entry 7134537
Preview
| Coordinates | 7134537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Photon |
|---|---|
| Formula | C2.43 H1.57 N0.35 O0.61 |
| Calculated formula | C2.43478 H1.56522 N0.347826 O0.608696 |
| Title of publication | Visible-light triggered Cu-catalyzed C─H bond activation to afford isocoumarin and isoquinolinone scaffolds at room temperature |
| Authors of publication | Sau, Subham; Das, Krishna Mohan; Thakur, Arunabha |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 19.1986 ± 0.0012 Å |
| b | 7.3351 ± 0.0005 Å |
| c | 16.724 ± 0.001 Å |
| α | 90° |
| β | 95.816 ± 0.002° |
| γ | 90° |
| Cell volume | 2343 ± 0.3 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0928 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1555 |
| Weighted residual factors for all reflections included in the refinement | 0.2107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299601 (current) | 2025-05-10 | cif/ Adding structures of 7134537, 7134538 via cif-deposit CGI script. |
7134537.cif |
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