Information card for entry 1572553

Structure parameters

• Formula: C65 H66 Cl2 N4 O10
• Calculated formula: C65 H66 Cl2 N4 O10
• Title of publication: Highly Enhanced Chiroptical Effect from Self-Inclusion Helical Nanocrystals of Tetraphenylethylene Bimacrocycles
• Authors of publication: Hu, Ming; Ye, Fengying; Yu, Wei; Sheng, Kang; Xu, Zhi-Rong; Fu, Jin-Jin; Wen, Xin; Feng, Hai-Tao; Liu, Minghua; Zheng, Yan-Song
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 29.7705 ± 0.0003 Å
• b: 26.2949 ± 0.0003 Å
• c: 8.8623 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6937.52 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No