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Information card for entry 7064073
Preview
| Coordinates | 7064073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H15 B F2 N4 O |
|---|---|
| Calculated formula | C14 H15 B F2 N4 O |
| Title of publication | Unexpected Formation of α-Formylated BOPHY in the Reaction with Copper Salts |
| Authors of publication | Prasannan, Dijo; Nemykin, Viktor N. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 16.4025 ± 0.0019 Å |
| b | 6.7909 ± 0.0008 Å |
| c | 12.6068 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1404.2 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0936 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302945 (current) | 2025-10-17 | cif/ Adding structures of 7064069, 7064070, 7064071, 7064072, 7064073 via cif-deposit CGI script. |
7064073.cif |
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Users of the data should acknowledge the original authors of the
structural data.