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Information card for entry 4517129
Preview
| Coordinates | 4517129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H17 N O |
|---|---|
| Calculated formula | C15 H17 N O |
| SMILES | O=C(NC(C)(C)C)c1c2ccccc2ccc1 |
| Title of publication | F+ Reagent-Promoted Pd-Catalyzed C7‒H Arylation of 1-Naphthamides |
| Authors of publication | Zhang, Min; Luo, Anping; Shi, Yang; Su, Rongchuan; Yang, Yudong; You, Jingsong |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Pages of publication | 11802 |
| a | 11.0739 ± 0.0004 Å |
| b | 11.3132 ± 0.0004 Å |
| c | 10.2916 ± 0.0003 Å |
| α | 90° |
| β | 93.622 ± 0.003° |
| γ | 90° |
| Cell volume | 1286.77 ± 0.08 Å3 |
| Cell temperature | 296 ± 0.5 K |
| Ambient diffraction temperature | 296 ± 0.5 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0707 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.169 |
| Weighted residual factors for all reflections included in the refinement | 0.1817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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 |
|---|---|---|---|
| 242166 (current) | 2019-11-26 | cif/ Adding structures of 4517129 via cif-deposit CGI script. |
4517129.cif |
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