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Information card for entry 7160581
Preview
| Coordinates | 7160581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H24 N2 O2 |
|---|---|
| Calculated formula | C17 H24 N2 O2 |
| Title of publication | Catalyst-free Microwave-Assisted Azo-Povarov Reaction of N-Carbonyl Aryldiazenes with trans-Cyclooctene to access Ring-fused Cinnoline Derivatives |
| Authors of publication | Jimenez-Aberasturi, Xabier; Padrones, Gurutze; Vicario, Javier; de los Santos, Jesús |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 5.78458 ± 0.00012 Å |
| b | 7.85285 ± 0.00014 Å |
| c | 17.1515 ± 0.0002 Å |
| α | 93.0396 ± 0.0013° |
| β | 94.1142 ± 0.0014° |
| γ | 101.494 ± 0.0016° |
| Cell volume | 759.71 ± 0.02 Å3 |
| Cell temperature | 181 ± 16 K |
| Ambient diffraction temperature | 181 ± 16 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0473 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1173 |
| Weighted residual factors for all reflections included in the refinement | 0.1193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299972 (current) | 2025-06-05 | cif/ Adding structures of 7160581 via cif-deposit CGI script. |
7160581.cif |
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Users of the data should acknowledge the original authors of the
structural data.