Information card for entry 7250034

Structure parameters

• Formula: C34 H28 F12 I6 N4 O4
• Calculated formula: C34 H28 F12 I6 N4 O4
• 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: 8.8594 ± 0.0005 Å
• b: 10.1598 ± 0.0007 Å
• c: 12.808 ± 0.001 Å
• α: 92.855 ± 0.006°
• β: 95.703 ± 0.005°
• γ: 99.376 ± 0.005°
• Cell volume: 1129.25 ± 0.14 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No