Information card for entry 4135250

Structure parameters

• Formula: C39 H25 N O5
• Calculated formula: C39 H25 N O5
• Title of publication: Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory.
• Authors of publication: Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 38
• Pages of publication: 16223 - 16228
• a: 10.5727 ± 0.0002 Å
• b: 9.663 ± 0.0002 Å
• c: 38.7804 ± 0.0006 Å
• α: 90°
• β: 91.267 ± 0.002°
• γ: 90°
• Cell volume: 3960.99 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2274
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No