Information card for entry 2201864

Structure parameters

• Common name: (S)-(-)-BINAP
• Chemical name: (S)-(-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl
• Formula: C44 H32 P2
• Calculated formula: C44 H32 P2
• SMILES: P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccccc1)c1ccccc1
• Title of publication: (<i>S</i>)-({-})-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, a versatile chelating ligand
• Authors of publication: Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o535 - o537
• a: 9.1206 ± 0.0002 Å
• b: 18.7541 ± 0.0007 Å
• c: 9.9829 ± 0.0003 Å
• α: 90°
• β: 103.206 ± 0.002°
• γ: 90°
• Cell volume: 1662.41 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes