Information card for entry 7059919

Structure parameters

• Formula: C70 H104 N6 O6
• Calculated formula: C70 H104 N6 O6
• Title of publication: Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies
• Authors of publication: Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16294 - 16301
• a: 10.086 ± 0.0014 Å
• b: 17.874 ± 0.003 Å
• c: 19.228 ± 0.004 Å
• α: 90°
• β: 99.871 ± 0.015°
• γ: 90°
• Cell volume: 3415.1 ± 1 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No