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Information card for entry 7160596
Preview
| Coordinates | 7160596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H8 N2 O4 |
|---|---|
| Calculated formula | C16 H8 N2 O4 |
| Title of publication | Convergent Synthesis of Coumarin C3-C4 Fused Fluorogenic Quinoline Scaffolds via Aldehyde Activation by in-situ Generated Hydrazoic Acid |
| Authors of publication | Ganesan, Ranjithkumar; Kamaraj, Sriraghavan |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.822 ± 0.003 Å |
| b | 5.4227 ± 0.0016 Å |
| c | 23.386 ± 0.006 Å |
| α | 90° |
| β | 99.596 ± 0.01° |
| γ | 90° |
| Cell volume | 1228.2 ± 0.6 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0644 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0966 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300085 (current) | 2025-06-14 | cif/ Adding structures of 7160595, 7160596, 7160597, 7160598 via cif-deposit CGI script. |
7160596.cif |
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Users of the data should acknowledge the original authors of the
structural data.