Information card for entry 7125319

Structure parameters

• Common name: S-CHDA-FRP-7
• Formula: C96 H108 N12
• Calculated formula: C96 H108 N12
• Title of publication: Chiral separation and characterization of triazatruxene-based face-rotating polyhedra: the role of non-covalent facial interactions.
• Authors of publication: Zhang, Pei; Wang, Xinchang; Xuan, Wei; Peng, Pixian; Li, Zhihao; Lu, Ruqiang; Wu, Shuang; Tian, Zhongqun; Cao, Xiaoyu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 37
• Pages of publication: 4685 - 4688
• a: 23.3854 ± 0.0007 Å
• b: 23.3854 ± 0.0007 Å
• c: 89.444 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 42362 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2366
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No