Information card for entry 7059917

Structure parameters

• Formula: C58 H99 N6 O10.5 P2
• Calculated formula: C58 H99 N6 O10.5 P2
• 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: 18.2621 ± 0.0005 Å
• b: 14.8485 ± 0.0004 Å
• c: 24.879 ± 0.0009 Å
• α: 90°
• β: 90.576 ± 0.003°
• γ: 90°
• Cell volume: 6746 ± 0.4 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.3457
• Weighted residual factors for all reflections included in the refinement: 0.3711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.59
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No