Information card for entry 1566196

Structure parameters

• Formula: C90 H80.54 F24 N3 O8
• Calculated formula: C90 H81 F24 N3 O8
• Title of publication: Nonspherical anion sequestration by C–H hydrogen bonding
• Authors of publication: Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 21.873 ± 0.0005 Å
• b: 15.4168 ± 0.0003 Å
• c: 27.7277 ± 0.0006 Å
• α: 90°
• β: 113.23°
• γ: 90°
• Cell volume: 8592.1 ± 0.3 ų
• Cell temperature: 210 K
• Ambient diffraction temperature: 210 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2618
• Residual factor for significantly intense reflections: 0.1883
• Weighted residual factors for significantly intense reflections: 0.4423
• Weighted residual factors for all reflections included in the refinement: 0.4886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.491
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No