Information card for entry 4021897

Structure parameters

• Common name: (R)-3,3'-bis(diphenylphosphinoyl)-BINOL
• Formula: C44 H32 O4 P2
• Calculated formula: C44 H32 O4 P2
• SMILES: Oc1c(c2ccccc2cc1P(=O)(c1ccccc1)c1ccccc1)c1c(O)c(P(=O)(c2ccccc2)c2ccccc2)cc2ccccc12
• Title of publication: 3,3'-Diphosphoryl-1,1'-bi-2-naphthol-Zn(II) Complexes as Conjugate Acid-Base Catalysts for Enantioselective Dialkylzinc Addition to Aldehydes
• Authors of publication: Manabu Hatano; Takashi Miyamoto; Kazuaki Ishihara
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6474 - 6484
• a: 10.709 ± 0.005 Å
• b: 18.515 ± 0.005 Å
• c: 53.426 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.282 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 10593 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No