Information card for entry 7133954

Structure parameters

• Common name: opp-dioxadiaza[8]circulene
• Chemical name: dioxadiaza[8]circulene
• Formula: C24 H10 N2 O2
• Calculated formula: C24 H10 N2 O2
• Title of publication: Synthesis of substituent-free dioxadiaza[8]circulene to investigate intermolecular interactions and photophysical properties
• Authors of publication: Nakagawa, Aoi; Ota, Wataru; Ehara, Takumi; Matsuo, Yusuke; Miyata, Kiyoshi; Onda, Ken; Sato, Tohru; Seki, Shu; Tanaka, Takayuki
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.0418 ± 0.0004 Å
• b: 14.1923 ± 0.0004 Å
• c: 10.918 ± 0.0003 Å
• α: 90°
• β: 106.166 ± 0.003°
• γ: 90°
• Cell volume: 1494.47 ± 0.09 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 4
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1139
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No