Information card for entry 1574918

Structure parameters

• Formula: C29 H13 F8 N O
• Calculated formula: C29 H13 F8 N O
• Title of publication: Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.
• Authors of publication: Hu, Wenbo; Li, Heng; Yuan, Bingxin
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 30
• Pages of publication: 13794 - 13806
• a: 18.4815 ± 0.0007 Å
• b: 11.2751 ± 0.0004 Å
• c: 21.751 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4532.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No