Information card for entry 7251200

Structure parameters

• Common name: BINOL + DACH
• Chemical name: 1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine
• Formula: C110 H132 N8 O12
• Calculated formula: C110 H132 N8 O12
• Title of publication: Solvent selection as a major determinant of chiral resolution outcomes: The BINOL-DACH case study
• Authors of publication: de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Robeyns, Koen; Leyssens, Tom
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 10.3936 ± 0.0012 Å
• b: 11.2508 ± 0.0009 Å
• c: 20.951 ± 0.002 Å
• α: 87.176 ± 0.007°
• β: 89.274 ± 0.008°
• γ: 76.533 ± 0.008°
• Cell volume: 2379.7 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No