Information card for entry 2213416

Structure parameters

• Chemical name: rac-2,2'-Bis(diphenylphosphinoyl)-1,1'-binaphthyl
• Formula: C44 H32 O2 P2
• Calculated formula: C44 H32 O2 P2
• SMILES: P(=O)(c1ccccc1)(c1ccc2ccccc2c1c1c2c(ccc1P(=O)(c1ccccc1)c1ccccc1)cccc2)c1ccccc1
• Title of publication: <i>rac</i>-2,2'-Bis(diphenylphosphinoyl)-1,1'-binaphthyl
• Authors of publication: Marie-Hélène Thibault; Frédéric-Georges Fontaine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2087 - o2088
• a: 8.63 ± 0.001 Å
• b: 36.969 ± 0.004 Å
• c: 10.605 ± 0.001 Å
• α: 90°
• β: 104.111 ± 0.001°
• γ: 90°
• Cell volume: 3281.4 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes