Information card for entry 7251195

Structure parameters

• Common name: BINOL + DACH comme synonyms
• Chemical name: 1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine
• Formula: C28 H32 N2 O3
• Calculated formula: C28 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: 8.1693 ± 0.001 Å
• b: 9.2052 ± 0.0009 Å
• c: 16.684 ± 0.002 Å
• α: 96.026 ± 0.009°
• β: 95.209 ± 0.01°
• γ: 102.224 ± 0.009°
• Cell volume: 1211.1 ± 0.2 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: 0.0544
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No