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Information card for entry 7160450
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| Coordinates | 7160450.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H33 N O |
|---|---|
| Calculated formula | C25 H33 N O |
| Title of publication | Catalyst and transition-metal free 1,6-conjugate addition of azobisisobutyronitrile: An access to isobutyronitrile containing diarylmethanes |
| Authors of publication | Mamale, Ajay G.; Ghodake, Balaji M.; Gonnade, Rajesh G.; Bhattacharya, Asish K. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 11.4787 ± 0.0005 Å |
| b | 9.936 ± 0.0004 Å |
| c | 19.7801 ± 0.0008 Å |
| α | 90° |
| β | 104.907 ± 0.002° |
| γ | 90° |
| Cell volume | 2180.04 ± 0.16 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 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 | 0.1211 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1282 |
| Weighted residual factors for all reflections included in the refinement | 0.1605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298593 (current) | 2025-03-26 | cif/ Adding structures of 7160450 via cif-deposit CGI script. |
7160450.cif |
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Users of the data should acknowledge the original authors of the
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