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Information card for entry 1566539
Preview
| Coordinates | 1566539.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H33 N |
|---|---|
| Calculated formula | C37 H33 N |
| Title of publication | α-Branched Amines through Radical Coupling with 2-Azaallyl Anions, Redox Active Esters and Alkenes |
| Authors of publication | Duan, Shengzu; Zi, Yujin; Wang, Lingling; Cong, Jielun; Chen, Wen; Li, Minyan; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 35.402 ± 0.005 Å |
| b | 9.1778 ± 0.0013 Å |
| c | 17.961 ± 0.003 Å |
| α | 90° |
| β | 110.844 ± 0.006° |
| γ | 90° |
| Cell volume | 5453.8 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.073 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1647 |
| Weighted residual factors for all reflections included in the refinement | 0.179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273288 (current) | 2022-03-04 | cif/ Adding structures of 1566539 via cif-deposit CGI script. |
1566539.cif |
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Users of the data should acknowledge the original authors of the
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