Information card for entry 4127663

Structure parameters

• Formula: C68 H73 F6 N6 O Sb
• Calculated formula: C68 H73 F6 N6 O Sb
• 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: 13.0245 ± 0.0003 Å
• b: 15.0943 ± 0.0003 Å
• c: 29.3272 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5765.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No