Information card for entry 1571762

Structure parameters

• Formula: C165 H144 Cl12 F24 N4 P4
• Calculated formula: C165 H144 Cl12 F24 N4 P4
• 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 Y.; Tian, Hongkun; Chi, Chunyan
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 9087 - 9095
• a: 15.0972 ± 0.0014 Å
• b: 24.931 ± 0.002 Å
• c: 29.79 ± 0.003 Å
• α: 88.424 ± 0.003°
• β: 82.103 ± 0.003°
• γ: 84.163 ± 0.003°
• Cell volume: 11047.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2292
• Residual factor for significantly intense reflections: 0.1501
• Weighted residual factors for significantly intense reflections: 0.3719
• Weighted residual factors for all reflections included in the refinement: 0.4006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No