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Information card for entry 4035496
Preview
| Coordinates | 4035496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H110 N2 O3 P2 |
|---|---|
| Calculated formula | C106 H110 N2 O3 P2 |
| Title of publication | Synthesis and Application of Hexamethyl-1,1'-spirobiindane-Based Phosphine-Oxazoline Ligands in Ni-Catalyzed Asymmetric Arylation of Cyclic Aldimines. |
| Authors of publication | Sun, Weiye; Gu, Haorui; Lin, Xufeng |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 7 |
| Pages of publication | 4034 - 4043 |
| a | 11.6873 ± 0.0003 Å |
| b | 15.3134 ± 0.0003 Å |
| c | 14.6013 ± 0.0004 Å |
| α | 90° |
| β | 110.631 ± 0.003° |
| γ | 90° |
| Cell volume | 2445.64 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1537 |
| Weighted residual factors for all reflections included in the refinement | 0.1623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226946 (current) | 2019-11-11 | cif/ Adding structures of 4035496 via cif-deposit CGI script. |
4035496.cif |
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Users of the data should acknowledge the original authors of the
structural data.