Information card for entry 4127662

Structure parameters

• Formula: C69 H74 Cl3 F18 N6 O Sb3
• Calculated formula: C69 H74 Cl3 F18 N6 O Sb3
• Title of publication: Synthesis and Isolation of Antiaromatic Expanded Azacoronene via Intramolecular Vilsmeier-Type Reaction.
• Authors of publication: Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Uno, Hidemitsu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 41
• Pages of publication: 16255 - 16259
• a: 31.6033 ± 0.0008 Å
• b: 15.2402 ± 0.0002 Å
• c: 32.1689 ± 0.0007 Å
• α: 90°
• β: 115.041 ± 0.003°
• γ: 90°
• Cell volume: 14037.5 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.1054
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No