Information card for entry 7056081

Structure parameters

• Formula: C55 H31 Cl3
• Calculated formula: C55 H31 Cl3
• Title of publication: Hexaaryl-carbo-benzenes revisited: novel synthetic route, crystallographic data, and prospects of electrochemical behavior
• Authors of publication: Zhu, Chongwei; Duhayon, Carine; Romero-Borja, Daniel; Maldonado, Jose-Luis; Ramos-Ortiz, Gabriel; Saquet, Alix; Maraval, Valérie; Chauvin, Remi
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 3908 - 3914
• a: 12.4948 ± 0.0005 Å
• b: 16.0972 ± 0.0006 Å
• c: 20.2765 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4078.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No