Information card for entry 7115736

Structure parameters

• Formula: C24 H26 Cl F2 N7 O6
• Calculated formula: C24 H26 Cl F2 N7 O6
• SMILES: N(=O)(=O)c1ccc(NC(=O)Nc2cc(F)c(F)cc2NC(=O)Nc2ccc(N(=O)=O)cc2)cc1.[N+](C)(C)(C)C.[Cl-]
• 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: 7.3305 ± 0.0019 Å
• b: 23.581 ± 0.006 Å
• c: 15.409 ± 0.004 Å
• α: 90°
• β: 97.282 ± 0.004°
• γ: 90°
• Cell volume: 2642.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No