Information card for entry 7242886

Structure parameters

• Formula: C63 H52 N2 O4
• Calculated formula: C63 H52 N2 O4
• Title of publication: Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents
• Authors of publication: Kodama, Koichi; Takase, Fusato; Hirose, Takuji
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 30
• Pages of publication: 18162 - 18170
• a: 10.0606 ± 0.0015 Å
• b: 20.736 ± 0.003 Å
• c: 22.81 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4758.5 ± 1.2 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: 0.0797
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No