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Information card for entry 2243734
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| Coordinates | 2243734.cif |
|---|---|
| Structure factors | 2243734.hkl |
| Original IUCr paper | HTML |
| Common name | RuPhos |
|---|---|
| Chemical name | 2-Dicyclohexylphosphanyl-2',6'-bis(propan-2-yloxy)biphenyl |
| Formula | C30 H43 O2 P |
| Calculated formula | C30 H43 O2 P |
| SMILES | P(c1c(c2c(OC(C)C)cccc2OC(C)C)cccc1)(C1CCCCC1)C1CCCCC1 |
| Title of publication | Crystal structure of the RuPhos ligand |
| Authors of publication | Carsch, Kurtis M.; Ho, William; Lui, Kai Hin; Valtierra, Gregory; Dogutan, Dilek K.; Nocera, Daniel G.; Zheng, Shao-Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 2 |
| Pages of publication | 171 - 174 |
| a | 9.616 ± 0.0004 Å |
| b | 15.8209 ± 0.0007 Å |
| c | 19.0324 ± 0.0009 Å |
| α | 71.2052 ± 0.0008° |
| β | 85.1144 ± 0.0008° |
| γ | 87.9801 ± 0.0009° |
| Cell volume | 2731 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0559 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261261 (current) | 2021-01-27 | cif/ hkl/ Adding structures of 2243734 via cif-deposit CGI script. |
2243734.cif 2243734.hkl |
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Users of the data should acknowledge the original authors of the
structural data.