Information card for entry 4125610

Structure parameters

• Formula: C38 H76 N2 O27
• Calculated formula: C38 H76 N2 O27
• SMILES: c1(ccc(cc1)N(=O)=O)N(c1ccc2c(c1)OCCOCCOCCOCCOCCO2)c1ccc2c(c1)OCCOCCOCCOCCOCCO2.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport.
• Authors of publication: Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 10
• Pages of publication: 3721 - 3727
• a: 24.6495 ± 0.0014 Å
• b: 8.8435 ± 0.0005 Å
• c: 32.1542 ± 0.0013 Å
• α: 90°
• β: 130.301 ± 0.003°
• γ: 90°
• Cell volume: 5345.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1277
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No