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Information card for entry 4517130
Preview
| Coordinates | 4517130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H25 N O |
|---|---|
| Calculated formula | C23 H25 N O |
| SMILES | O=C(N(C(C)C)C(C)C)c1c2c(ccc(c3ccccc3)c2)ccc1 |
| 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 | 7.4537 ± 0.0003 Å |
| b | 10.8662 ± 0.0005 Å |
| c | 12.8697 ± 0.0007 Å |
| α | 105.015 ± 0.005° |
| β | 99.127 ± 0.004° |
| γ | 100.612 ± 0.004° |
| Cell volume | 965.9 ± 0.09 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0646 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1606 |
| Weighted residual factors for all reflections included in the refinement | 0.1747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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 |
|---|---|---|---|
| 242167 (current) | 2019-11-26 | cif/ Adding structures of 4517130 via cif-deposit CGI script. |
4517130.cif |
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Users of the data should acknowledge the original authors of the
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