Information card for entry 4125609

Structure parameters

• Formula: C24 H22 N2 O4
• Calculated formula: C24 H22 N2 O4
• SMILES: c1(ccc(cc1)OC)N(c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(cc1)OC
• 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: 17.719 ± 0.0005 Å
• b: 12.4759 ± 0.0006 Å
• c: 9.2314 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2040.7 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No