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Information card for entry 7160404
Preview
| Coordinates | 7160404.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H21 Cl N2 O |
|---|---|
| Calculated formula | C29 H21 Cl N2 O |
| Title of publication | Ru(II)-catalyzed oxidative C-H spiroannulation of 4-arylquinazolin-2-ones with alkynes |
| Authors of publication | Chidrawar, Ajay; Balasubramanian, Sridhar; Basireddy, Venkata Subba Reddy |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.8411 ± 0.0019 Å |
| b | 10.4582 ± 0.0019 Å |
| c | 10.93 ± 0.002 Å |
| α | 93.183 ± 0.006° |
| β | 93.558 ± 0.007° |
| γ | 90.622 ± 0.007° |
| Cell volume | 1120.9 ± 0.4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1003 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298396 (current) | 2025-03-12 | cif/ Adding structures of 7160404 via cif-deposit CGI script. |
7160404.cif |
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Users of the data should acknowledge the original authors of the
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