Information card for entry 7126076

Structure parameters

• Formula: C112 H80 Cl2
• Calculated formula: C112 H80 Cl2
• Title of publication: Highly emissive phenylene-expanded [5]radialene.
• Authors of publication: Yu, Jie; Tang, Chunlin; Gu, Xinggui; Zheng, Xiaoyan; Yu, Zhen-Qiang; He, Zikai; Li, Xin-Gui; Tang, Ben Zhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 27
• Pages of publication: 3911 - 3914
• a: 25.9806 ± 0.0009 Å
• b: 24.253 ± 0.0008 Å
• c: 26.5964 ± 0.0008 Å
• α: 90°
• β: 97.253 ± 0.002°
• γ: 90°
• Cell volume: 16624.5 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• 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: 0.1439
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No