Information card for entry 7122687

Structure parameters

• Formula: C98 H76 Cl0 N12
• Calculated formula: C98 H76 N12
• Title of publication: Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines
• Authors of publication: Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 13.7878 ± 0.0012 Å
• b: 16.2197 ± 0.0008 Å
• c: 19.92 ± 0.002 Å
• α: 72.109 ± 0.015°
• β: 85.164 ± 0.015°
• γ: 66.73 ± 0.015°
• Cell volume: 3891 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No