Information card for entry 4131912

Structure parameters

• Formula: C43 H33 F18 N10 O4 P3 S2
• Calculated formula: C39 H33 F18 N10 O2 P3
• Title of publication: Supramolecular Properties of a Monocarboxylic Acid-Functionalized "Texas-Sized" Molecular Box.
• Authors of publication: Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 22
• Pages of publication: 6823 - 6831
• a: 27.323 ± 0.003 Å
• b: 31.177 ± 0.004 Å
• c: 11.9178 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10152 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1593
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No