Information card for entry 2011046

Structure parameters

• 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 ų
• 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