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Information card for entry 1575308
Preview
| Coordinates | 1575308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 N O2 |
|---|---|
| Calculated formula | C19 H23 N O2 |
| Title of publication | Nitrilation of Carboxylic Acids by PIII/PV-Catalysis |
| Authors of publication | Ali, Siraj Z.; Manno, Nicolás A.; Shen, Jeff; Schenker, Alessia; Lipshultz, Jeffrey M.; White, Nicholas A.; Radosevich, Alexander |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 5.83723 ± 0.00009 Å |
| b | 11.91509 ± 0.00019 Å |
| c | 23.6848 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1647.3 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0323 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301455 (current) | 2025-08-05 | cif/ Adding structures of 1575308 via cif-deposit CGI script. |
1575308.cif |
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