Information card for entry 7246250

Structure parameters

• Chemical name: phenanthridin-6(5<i>H</i>)-one – perfluorophenol
• Formula: C32 H18.67 F5 N2 O3
• Calculated formula: C32 H18.666 F5 N2 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: 8.615 ± 0.0008 Å
• b: 15.9915 ± 0.0014 Å
• c: 9.1239 ± 0.0008 Å
• α: 90°
• β: 103.072 ± 0.008°
• γ: 90°
• Cell volume: 1224.4 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No