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Information card for entry 7160509
Preview
| Coordinates | 7160509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 N2 |
|---|---|
| Calculated formula | C14 H10 N2 |
| Title of publication | C-H bond Cyanation: Green Electrochemical Synthesis of Phenylbenzimidoyl Cyanide Derivatives |
| Authors of publication | Sbei, Najwa; Rahali, Seyfeddine; Ahmed, Nisar |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 11.9 ± 0.0002 Å |
| b | 7.3015 ± 0.0001 Å |
| c | 24.8756 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2161.39 ± 0.06 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299360 (current) | 2025-04-23 | cif/ Adding structures of 7160509 via cif-deposit CGI script. |
7160509.cif |
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Users of the data should acknowledge the original authors of the
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