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Information card for entry 4518666
Preview
| Coordinates | 4518666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H29 N O2 |
|---|---|
| Calculated formula | C23 H29 N O2 |
| Title of publication | Oxidative Three-Component Carboamination of Vinylarenes with Alkylboronic Acids |
| Authors of publication | Gockel, Samuel N.; Lee, SangHyun; Gay, Brittany L.; Hull, Kami L. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 5166 - 5171 |
| a | 8.374 ± 0.003 Å |
| b | 10.255 ± 0.004 Å |
| c | 12.556 ± 0.005 Å |
| α | 82.813 ± 0.012° |
| β | 70.937 ± 0.011° |
| γ | 72.094 ± 0.015° |
| Cell volume | 969.4 ± 0.7 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 | 0.1088 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.1222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264784 (current) | 2021-05-03 | cif/ Adding structures of 4518666 via cif-deposit CGI script. |
4518666.cif |
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Users of the data should acknowledge the original authors of the
structural data.