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Information card for entry 4038844
Preview
| Coordinates | 4038844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H24 N2 O2 |
|---|---|
| Calculated formula | C21 H24 N2 O2 |
| Title of publication | Ru(II)-catalyzed tunable cascade reaction via C-H/C-C bond cleavage. |
| Authors of publication | Yang, Zi; Yue, Qi; Yang, Mengqi; Zhang, Hong; Cui, Xiuling |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.7033 ± 0.0006 Å |
| b | 10.3399 ± 0.001 Å |
| c | 11.7859 ± 0.0011 Å |
| α | 113.729 ± 0.009° |
| β | 92.491 ± 0.006° |
| γ | 101.392 ± 0.007° |
| Cell volume | 942.86 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.074 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.1683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256834 (current) | 2020-09-30 | cif/ Adding structures of 4038844 via cif-deposit CGI script. |
4038844.cif |
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Users of the data should acknowledge the original authors of the
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