Information card for entry 7119433

Structure parameters

• Formula: C19 H19 N3 O6
• Calculated formula: C19 H19 N3 O6
• SMILES: n1ccccc1NC(=O)[C@@H](C)NC(=O)c1cc(cc(c1)C(=O)OC)C(=O)OC
• Title of publication: Metal-induced supramolecular chirality inversion of small self-assembled molecules in solution.
• Authors of publication: Kokan, Zoran; Perić, Berislav; Vazdar, Mario; Marinić, Željko; Vikić-Topić, Dražen; Meštrović, Ernest; Kirin, Srećko I
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1945 - 1948
• a: 14.2548 ± 0.0008 Å
• b: 24.6361 ± 0.0014 Å
• c: 25.133 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8826.3 ± 0.9 ų
• Cell temperature: 293 ± 3 K
• Ambient diffraction temperature: 293 ± 3 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1489
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No