Information card for entry 4502462

Structure parameters

• Formula: C35 H39 N3 O8
• Calculated formula: C35 H39 N3 O8
• SMILES: O=C1O[C@H]([C@@H](N1C(=O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@H](c1ccccc1)CC(=O)OCc1ccccc1)C
• Title of publication: Pseudopeptides Designed to Form Supramolecular Helixes: The Role of the Stereogenic Centers
• Authors of publication: Angelici, Gaetano; Castellucci, Nicola; Falini, Giuseppe; Huster, Daniel; Monari, Magda; Tomasini, Claudia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 923
• a: 15.49 ± 0.003 Å
• b: 15.49 ± 0.003 Å
• c: 12.785 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2656.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No