Information card for entry 7115735

Structure parameters

• Formula: C74 H110 Cl2 F20 N10 O5 S5
• Calculated formula: C74 H110 Cl2 F20 N10 O5 S5
• Title of publication: Highly effective yet simple transmembrane anion transporters based upon ortho-phenylenediamine bis-ureas
• Authors of publication: Louise E. Karagiannidis; Cally J. E. Haynes; Katie J. Holder; Isabelle L. Kirby; Stephen J. Moore; Neil J. Wells; Philip A. Gale
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12050
• a: 15.6225 ± 0.0011 Å
• b: 17.683 ± 0.0012 Å
• c: 18.4051 ± 0.0013 Å
• α: 71.341 ± 0.005°
• β: 69.884 ± 0.005°
• γ: 67.95 ± 0.005°
• Cell volume: 4317.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No