Information card for entry 7134758

Structure parameters

• Formula: C50.2 H52.96 Cl3.06 N2
• Calculated formula: C50.2027 H52.9634 Cl3.0574 N2
• Title of publication: Synthesis of a twisted azananographene featuring a diquinoxaline-fused pyrene.
• Authors of publication: Zhang, Zhiyu; Xu, Zhenxun; Zhang, Aihui; Bai, Fenghua; Hashikawa, Yoshifumi; Chaolumen, ?
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 61
• Pages of publication: 11401 - 11404
• a: 9.4575 ± 0.0003 Å
• b: 13.1091 ± 0.0004 Å
• c: 17.8161 ± 0.0006 Å
• α: 83.827 ± 0.002°
• β: 84.966 ± 0.002°
• γ: 86.326 ± 0.002°
• Cell volume: 2184.22 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No