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Information card for entry 2011046
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| Coordinates | 2011046.cif |
|---|---|
| Structure factors | 2011046.hkl |
| Original IUCr paper | HTML |
| Common name | BINAP oxide |
|---|---|
| Chemical name | (R)-(+)-2,2'-bis(diphenylphosphinoyl)-1,1'-binaphthyl |
| Formula | C44 H32 O2 P2 |
| Calculated formula | C44 H32 O2 P2 |
| SMILES | P(=O)(c1c(c2c(cc1)cccc2)c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1 |
| Title of publication | (<i>R</i>)-(+)-2,2'-Bis(diphenylphosphinoyl)-1,1'-binaphthyl |
| Authors of publication | Bunten, Kevin A.; Farrar, David H.; Lough, Alan J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | e267 - e267 |
| a | 9.0719 ± 0.0002 Å |
| b | 18.9903 ± 0.0008 Å |
| c | 10.1528 ± 0.0003 Å |
| α | 90° |
| β | 103.62 ± 0.002° |
| γ | 90° |
| Cell volume | 1699.92 ± 0.1 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
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