Information card for entry 4121613

Structure parameters

• Formula: C120 H167.69 O12
• Calculated formula: C120 H167.69 O12
• Title of publication: Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.
• Authors of publication: Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 13
• Pages of publication: 5057 - 5064
• a: 12.5229 ± 0.0007 Å
• b: 14.2127 ± 0.0008 Å
• c: 17.6666 ± 0.0012 Å
• α: 88.113 ± 0.005°
• β: 73.225 ± 0.006°
• γ: 66.912 ± 0.005°
• Cell volume: 2757.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.2686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0385
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No