Information card for entry 1569740

Structure parameters

• Formula: C25 H32 F4 I2 N4 O
• Calculated formula: C25 H32 F4 I2 N4 O
• Title of publication: Exploring the supramolecular chemistry of cyclopropeniums: halogen-bonding-induced electrostatic assembly of polymers.
• Authors of publication: Huang, Shiwen; Zheng, Jianlin; Jiang, Zihao; Liu, Jiaxiong; Liu, Yiliu
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 36
• Pages of publication: 9820 - 9826
• a: 10.9182 ± 0.0002 Å
• b: 22.7514 ± 0.0005 Å
• c: 11.4864 ± 0.0003 Å
• α: 90°
• β: 101.588 ± 0.002°
• γ: 90°
• Cell volume: 2795.11 ± 0.11 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0745
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No