Information card for entry 7251199

Structure parameters

• Common name: BINOL + DACH
• Chemical name: 1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine
• Formula: C26 H28 N2 O2
• Calculated formula: C26 H28 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: 9.85511 ± 0.00018 Å
• b: 15.3092 ± 0.0003 Å
• c: 28.292 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4268.52 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0823
• 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: No
• Has Fobs: No