Information card for entry 7246246

Structure parameters

• Chemical name: phenanthridin-6(5<i>H</i>)-one – perfluorobenzoic acid
• Formula: C20 H10 F5 N O3
• Calculated formula: C20 H10 F5 N O3
• Title of publication: Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences
• Authors of publication: Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 1403 - 1410
• a: 7.284 ± 0.0013 Å
• b: 8.5719 ± 0.0013 Å
• c: 13.363 ± 0.002 Å
• α: 93.005 ± 0.013°
• β: 102.411 ± 0.013°
• γ: 92.991 ± 0.013°
• Cell volume: 812 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No