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Information card for entry 1551171
Preview
| Coordinates | 1551171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H61 N Ni O P2 |
|---|---|
| Calculated formula | C41 H61 N Ni O P2 |
| SMILES | [Ni]1([P](C2CCCCC2)(C2CCCCC2)CC[P]1(C1CCCCC1)C1CCCCC1)(n1ccc2ccccc12)c1ccc(OC)cc1 |
| Title of publication | Nickel-Catalyzed Decarbonylation of N-Acylated N-Heteroarenes |
| Authors of publication | Tobisu, Mamoru; Morioka, Toshifumi; Nakatani, Syun; Sakamoto, Yuki; Kodama, Takuya; Ogoshi, Sensuke; Chatani, Naoto |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 13.2163 ± 0.0003 Å |
| b | 19.2858 ± 0.0003 Å |
| c | 17.1259 ± 0.0003 Å |
| α | 90° |
| β | 111.81 ± 0.002° |
| γ | 90° |
| Cell volume | 4052.71 ± 0.14 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| 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 | 0.1161 |
| Residual factor for significantly intense reflections | 0.1119 |
| Weighted residual factors for significantly intense reflections | 0.28 |
| Weighted residual factors for all reflections included in the refinement | 0.2828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215595 (current) | 2019-05-30 | cif/ Adding structures of 1551170, 1551171 via cif-deposit CGI script. |
1551171.cif |
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Users of the data should acknowledge the original authors of the
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