Information card for entry 7134846

Structure parameters

• Formula: C108 H78 F36 N6 P6
• Calculated formula: C112 H84 F36 N8 P6
• Title of publication: Angle-controlled synthesis and redox properties of a tetraphenylethene-based hexacationic triangular macrocycle.
• Authors of publication: Yu, Yang; Song, Xiaowen; Li, Yawen; Wang, Pingxia; Cheng, Lin; Yang, Ying; He, Gang; Cao, Liping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 70
• Pages of publication: 13193 - 13196
• a: 6.6796 ± 0.0003 Å
• b: 34.3789 ± 0.0012 Å
• c: 48.7726 ± 0.0017 Å
• α: 90°
• β: 90.958 ± 0.002°
• γ: 90°
• Cell volume: 11198.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1975
• Residual factor for significantly intense reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.2802
• Weighted residual factors for all reflections included in the refinement: 0.3086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No