Information card for entry 7059921

Structure parameters

• Formula: C84 H113 N14 O16 P
• Calculated formula: C84 H113 N14 O16 P
• 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: 13.8036 ± 0.0008 Å
• b: 18.2461 ± 0.001 Å
• c: 18.3745 ± 0.0009 Å
• α: 81.787 ± 0.004°
• β: 83.628 ± 0.004°
• γ: 70.879 ± 0.005°
• Cell volume: 4317.5 ± 0.4 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.1649
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2562
• Weighted residual factors for all reflections included in the refinement: 0.3163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No