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Information card for entry 4132604
Preview
| Coordinates | 4132604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H17.5 N0.5 O2 |
|---|---|
| Calculated formula | C13 H17.25 N0.5 O2 |
| Title of publication | Carbon Dioxide-Mediated C(sp<sup>3</sup>)-H Arylation of Amine Substrates. |
| Authors of publication | Kapoor, Mohit; Liu, Daniel; Young, Michael C. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 22 |
| Pages of publication | 6818 - 6822 |
| a | 12.9712 ± 0.001 Å |
| b | 7.0406 ± 0.0005 Å |
| c | 13.2586 ± 0.0009 Å |
| α | 90° |
| β | 102.884 ± 0.005° |
| γ | 90° |
| Cell volume | 1180.36 ± 0.15 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242551 (current) | 2019-11-26 | cif/ Adding structures of 4132604 via cif-deposit CGI script. |
4132604.cif |
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Users of the data should acknowledge the original authors of the
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