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Information card for entry 7129270
Preview
| Coordinates | 7129270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H34 O4 P2 Si |
|---|---|
| Calculated formula | C48 H34 O4 P2 Si |
| SMILES | P(Oc1c2[Si]3(c4ccccc4Oc2ccc1)c1ccccc1Oc1cccc(OP(c2ccccc2)c2ccccc2)c31)(c1ccccc1)c1ccccc1 |
| Title of publication | Concise Synthesis and Application of Enantiopure Spirobiphenoxasilin-Diol and Its Related Chiral Ligands |
| Authors of publication | Yang, Lei; Xu, Wen-Qiang; Liu, Tao; Wu, Yichen; Wang, Bi-Qin; Wang, Peng |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 9.4128 ± 0.0003 Å |
| b | 9.5763 ± 0.0004 Å |
| c | 26.1896 ± 0.001 Å |
| α | 92.004 ± 0.001° |
| β | 96.554 ± 0.001° |
| γ | 115.774 ± 0.001° |
| Cell volume | 2102.51 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0959 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1752 |
| Weighted residual factors for all reflections included in the refinement | 0.1965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270747 (current) | 2021-11-19 | cif/ Adding structures of 7129269, 7129270 via cif-deposit CGI script. |
7129270.cif |
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Users of the data should acknowledge the original authors of the
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