Information card for entry 7251360

Structure parameters

• Formula: C26 H22 F6 N2 O2
• Calculated formula: C26 H22 F6 N2 O2
• Title of publication: From amides to thioamides: understanding enhanced anion binding in acyclic receptors
• Authors of publication: Akhtar, Nasim; Lekanne Deprez, Siebe; Jayawardana, Senuri G.; Davis, Macallister; Fonseca Guerra, Célia; García-López, Víctor
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 55
• Pages of publication: 46908 - 46913
• a: 9.5617 ± 0.0012 Å
• b: 10.833 ± 0.0013 Å
• c: 11.9272 ± 0.0014 Å
• α: 96.483 ± 0.005°
• β: 106.465 ± 0.005°
• γ: 99.458 ± 0.005°
• Cell volume: 1151.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No