Information card for entry 2235347

Structure parameters

• Common name: BINAP
• Chemical name: <i>rac</i>-2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl
• Formula: C44 H32 P2
• Calculated formula: C44 H32 P2
• SMILES: c1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2)c1ccccc1
• Title of publication: <i>rac</i>-2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl: a racemic diphosphine ligand
• Authors of publication: Niu, Feng; Chai, Wenxiang; Song, Li; Zhou, Mengbo; Liang, Jiaping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2033
• a: 19.612 ± 0.0008 Å
• b: 9.2008 ± 0.0003 Å
• c: 19.124 ± 0.0009 Å
• α: 90°
• β: 107.904 ± 0.005°
• γ: 90°
• Cell volume: 3283.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes