Information card for entry 1569488

Structure parameters

• Formula: C28 H20 F4 O4
• Calculated formula: C28 H20 F4 O4
• SMILES: Fc1c2OCc3cc(ccc3)COc3ccc(OCc4cc(ccc4)COc(c1F)c(F)c2F)cc3
• Title of publication: Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.
• Authors of publication: Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 31
• Pages of publication: 8393 - 8400
• a: 11.6918 ± 0.0001 Å
• b: 8.0303 ± 0.0001 Å
• c: 23.5644 ± 0.0002 Å
• α: 90°
• β: 90.325 ± 0.001°
• γ: 90°
• Cell volume: 2212.39 ± 0.04 ų
• Cell temperature: 169.99 ± 0.11 K
• Ambient diffraction temperature: 169.99 ± 0.11 K
• Number of distinct elements: 4
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No