Information card for entry 4127213

Structure parameters

• Formula: C210 H186 O12
• Calculated formula: C210 H186 O12
• Title of publication: Synthesis and Characterization of Hexapole [7]Helicene, A Circularly Twisted Chiral Nanographene.
• Authors of publication: Zhu, Yanpeng; Xia, Zeming; Cai, Zeying; Yuan, Ziyong; Jiang, Nianqiang; Li, Tao; Wang, Yonggen; Guo, Xiaoyu; Li, Zhihao; Ma, Shuang; Zhong, Dingyong; Li, Yang; Wang, Jiaobing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 19.269 ± 0.0007 Å
• b: 24.3606 ± 0.0004 Å
• c: 41.316 ± 0.0018 Å
• α: 90°
• β: 102.261 ± 0.004°
• γ: 90°
• Cell volume: 18951.5 ± 1.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No