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Information card for entry 4132380
Preview
| Coordinates | 4132380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H33 N2 P |
|---|---|
| Calculated formula | C22 H33 N2 P |
| SMILES | c1cc2c(c(cc(c2)C)CCCCC#N)n1P(C(C)(C)C)C(C)(C)C |
| Title of publication | Rhodium-Catalyzed, Remote Terminal Hydroarylation of Activated Olefins through a Long-Range Deconjugative Isomerization. |
| Authors of publication | Borah, Arun Jyoti; Shi, Zhuangzhi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 19 |
| Pages of publication | 6062 - 6066 |
| a | 22.0032 ± 0.0015 Å |
| b | 8.3103 ± 0.0005 Å |
| c | 22.7142 ± 0.0014 Å |
| α | 90° |
| β | 90.349 ± 0.003° |
| γ | 90° |
| Cell volume | 4153.3 ± 0.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242363 (current) | 2019-11-26 | cif/ Adding structures of 4132380 via cif-deposit CGI script. |
4132380.cif |
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Users of the data should acknowledge the original authors of the
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