Information card for entry 1575558

Structure parameters

• Formula: C31 H20 F N O2
• Calculated formula: C31 H20 F N O2
• Title of publication: Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.
• Authors of publication: Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 17772 - 17778
• a: 28.0843 ± 0.0013 Å
• b: 28.0843 ± 0.0013 Å
• c: 11.375 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8971.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No