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Information card for entry 7129574
Preview
| Coordinates | 7129574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 N2 |
|---|---|
| Calculated formula | C18 H22 N2 |
| SMILES | [C@H]1([C@@H](c2ccccc2)N(CCN1C)C)c1ccccc1.[C@@H]1([C@H](c2ccccc2)N(CCN1C)C)c1ccccc1 |
| Title of publication | Activation of O2 Across a C(sp3)-C(sp3) Bond |
| Authors of publication | Kumar, Rahul; Richter, Stefan; Maity, Suvendu; Sarkar, Pallavi; Chrysochos, Nicolas Dr.; Pati, Swapan K.; Ghosh, Prasanta; Schulzke, Carola; Jana, Anukul |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 16.0877 ± 0.0012 Å |
| b | 5.7417 ± 0.0004 Å |
| c | 18.1222 ± 0.0014 Å |
| α | 90° |
| β | 108.833 ± 0.008° |
| γ | 90° |
| Cell volume | 1584.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0708 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1521 |
| Weighted residual factors for all reflections included in the refinement | 0.1623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272042 (current) | 2022-01-15 | cif/ Adding structures of 7129573, 7129574, 7129575, 7129576, 7129577, 7129578 via cif-deposit CGI script. |
7129574.cif |
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Users of the data should acknowledge the original authors of the
structural data.