Information card for entry 1569506

Structure parameters

• Formula: C50 H38 F4 N8 O7 S6
• Calculated formula: C50 H38 F4 N8 O7 S6
• 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: 10.4191 ± 0.0002 Å
• b: 18.3885 ± 0.0003 Å
• c: 26.4258 ± 0.0006 Å
• α: 73.686 ± 0.002°
• β: 88.364 ± 0.002°
• γ: 89.845 ± 0.001°
• Cell volume: 4857.05 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1215
• Residual factor for significantly intense reflections: 0.114
• Weighted residual factors for significantly intense reflections: 0.3014
• Weighted residual factors for all reflections included in the refinement: 0.308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No