Information card for entry 1575904

Structure parameters

• Formula: C70 H13 N
• Calculated formula: C70 H13 N
• Title of publication: Multilevel chirality transfer and second harmonic generation in mesoscopic double helical supramolecular self-assemblies of fullerene enantiomers.
• Authors of publication: Li, Jinrui; Zhuang, Kaipeng; Tao, Yunlong; Zhang, Qingfeng; Li, Hongguang; Hao, Jingcheng
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 19843 - 19848
• a: 13.7943 ± 0.0007 Å
• b: 10.0312 ± 0.0005 Å
• c: 13.8636 ± 0.0007 Å
• α: 90°
• β: 107.119 ± 0.002°
• γ: 90°
• Cell volume: 1833.36 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No