Information card for entry 1571763

Structure parameters

• Formula: C204 H162 F36 N6 Sb6
• Calculated formula: C204 H162 F36 N6 Sb6
• Title of publication: Facile Synthesis and Characterization of Aza-Bridged All-Benzenoid Quinoidal Figure-Eight and Cage Molecules
• Authors of publication: Dong, Shaoqiang; Han, Yi; Tong, Zekun; Wang, Jinfeng; Zhang, Yishan; Li, Aisen; Gopalakrishna, Tullimilli; Tian, Hongkun; Chi, Chunyan
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 24.0699 ± 0.0007 Å
• b: 24.0699 ± 0.0007 Å
• c: 29.1508 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14626.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.1959
• Residual factor for significantly intense reflections: 0.1543
• Weighted residual factors for significantly intense reflections: 0.3581
• Weighted residual factors for all reflections included in the refinement: 0.3977
• Goodness-of-fit parameter for all reflections included in the refinement: 2.191
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No