Information card for entry 7251198

Structure parameters

• Common name: BINOL + DACH
• Chemical name: 1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine
• Formula: C32 H34 N2 O2
• Calculated formula: C32 H34 N2 O2
• 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: 12.3993 ± 0.0015 Å
• b: 14.0194 ± 0.001 Å
• c: 15.3719 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2672.1 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No