Information card for entry 7039757

Structure parameters

• Formula: C47 H56 Cl F12 N7 O3
• Calculated formula: C47 H56 Cl F12 N7 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: 12.919 ± 0.005 Å
• b: 13.561 ± 0.006 Å
• c: 14.982 ± 0.006 Å
• α: 107.158 ± 0.009°
• β: 93.703 ± 0.008°
• γ: 90.818 ± 0.006°
• Cell volume: 2501.2 ± 1.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.151
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2085
• Weighted residual factors for all reflections included in the refinement: 0.2528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No