Information card for entry 7039758

Structure parameters

• Formula: C61 H94 Cl2 F6 N8 O3
• Calculated formula: C61 H94 Cl2 F6 N8 O3
• Title of publication: Tris-ureas as transmembrane anion transporters.
• Authors of publication: Olivari, Martina; Montis, Riccardo; Berry, Stuart N.; Karagiannidis, Louise E.; Coles, Simon J.; Horton, Peter N.; Mapp, Lucy K.; Gale, Philip A.; Caltagirone, Claudia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 11892 - 11897
• a: 11.21 ± 0.003 Å
• b: 11.448 ± 0.003 Å
• c: 25.187 ± 0.008 Å
• α: 96.774 ± 0.004°
• β: 93.788 ± 0.005°
• γ: 96.805 ± 0.005°
• Cell volume: 3176.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1334
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No