Information card for entry 7251197

Structure parameters

• Common name: BINOL + DACH
• Chemical name: 1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine
• Formula: C27 H32 N2 O3
• Calculated formula: C27 H32 N2 O3
• 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: 10.2697 ± 0.0012 Å
• b: 11.14 ± 0.002 Å
• c: 11.3987 ± 0.0017 Å
• α: 108.518 ± 0.016°
• β: 101.58 ± 0.012°
• γ: 101.228 ± 0.014°
• Cell volume: 1163.5 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No