Information card for entry 7250033

Structure parameters

• Formula: C18 H13 F3 I3 N O3
• Calculated formula: C18 H13 F3 I3 N O3
• Title of publication: Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes
• Authors of publication: Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 2233 - 2240
• a: 28.0048 ± 0.0013 Å
• b: 4.8659 ± 0.0003 Å
• c: 15.7552 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2146.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No