Information card for entry 4028830

Structure parameters

• Formula: C54 H101 N9 O13
• Calculated formula: C54 H101 N9 O13
• SMILES: C(C)(C)(C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NC(C)(C)C(=O)OC.O
• Title of publication: Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense
• Authors of publication: Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 12106 - 12113
• a: 11.493 ± 0.002 Å
• b: 20.119 ± 0.004 Å
• c: 14.627 ± 0.003 Å
• α: 90°
• β: 90.154 ± 0.004°
• γ: 90°
• Cell volume: 3382.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.2691
• Weighted residual factors for all reflections included in the refinement: 0.2709
• Goodness-of-fit parameter for all reflections included in the refinement: 2.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No