Information card for entry 7230712

Structure parameters

• Formula: C25 H26 N4 O4
• Calculated formula: C25 H26 N4 O4
• Title of publication: The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond
• Authors of publication: Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 33
• Pages of publication: 18672
• a: 8.5126 ± 0.0019 Å
• b: 22.934 ± 0.016 Å
• c: 11.454 ± 0.004 Å
• α: 90°
• β: 100.85 ± 0.03°
• γ: 90°
• Cell volume: 2196.2 ± 1.8 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.2077
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No