Information card for entry 4121612

Structure parameters

• Formula: C39 H28.5 Cl4.5 O6
• Calculated formula: C39 H28.5 Cl4.5 O6
• 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: 10.606 ± 0.0003 Å
• b: 17.7693 ± 0.0004 Å
• c: 18.5377 ± 0.0005 Å
• α: 90°
• β: 91.524 ± 0.002°
• γ: 90°
• Cell volume: 3492.4 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.2642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No