Information card for entry 7248315

Structure parameters

• Common name: R-Binol (R,R)-DADPE benzene solvate
• Chemical name: (R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine benzene solvate
• Formula: C50.27 H46.27 N2 O2
• Calculated formula: C50.32 H46.32 N2 O2
• Title of publication: Using the nature of the achiral solvent to orient chiral resolution
• Authors of publication: de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 2056 - 2059
• a: 23.5398 ± 0.0017 Å
• b: 23.5398 ± 0.0017 Å
• c: 15.3506 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8506.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.1477
• Residual factor for significantly intense reflections: 0.1165
• Weighted residual factors for significantly intense reflections: 0.2486
• Weighted residual factors for all reflections included in the refinement: 0.2667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No