Information card for entry 4131911

Structure parameters

• Formula: C49 H63 F24 N10 O7 P4 S5
• Calculated formula: C49 H63 F24 N10 O7 P4 S5
• 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: 14.493 ± 0.005 Å
• b: 14.921 ± 0.005 Å
• c: 17.665 ± 0.006 Å
• α: 100.095 ± 0.006°
• β: 107.797 ± 0.008°
• γ: 98.626 ± 0.007°
• Cell volume: 3495 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2665
• Residual factor for significantly intense reflections: 0.1189
• Weighted residual factors for significantly intense reflections: 0.2539
• Weighted residual factors for all reflections included in the refinement: 0.3167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No