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Information card for entry 4038713
Preview
| Coordinates | 4038713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H108 I2 N10 Zn2 |
|---|---|
| Calculated formula | C84 H108 I2 N10 Zn2 |
| Title of publication | Zinc Hydride Catalyzed Hydrofuntionalization of Ketones. |
| Authors of publication | Sahoo, Rajata Kumar; Mahato, Mamata; Jana, Achintya; Nembenna, Sharanappa |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 13.5467 ± 0.0002 Å |
| b | 15.2671 ± 0.0003 Å |
| c | 19.7699 ± 0.0003 Å |
| α | 107.173 ± 0.002° |
| β | 100.844 ± 0.001° |
| γ | 90.31 ± 0.001° |
| Cell volume | 3828.64 ± 0.12 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1511 |
| Residual factor for significantly intense reflections | 0.1297 |
| Weighted residual factors for significantly intense reflections | 0.3321 |
| Weighted residual factors for all reflections included in the refinement | 0.3376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.697 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255610 (current) | 2020-08-25 | cif/ Adding structures of 4038713 via cif-deposit CGI script. |
4038713.cif |
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