Information card for entry 1544649

Structure parameters

• Formula: C19 H35 N3 O7
• Calculated formula: C19 H35 N3 O7
• SMILES: CC(C)(C)OC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)OC
• Title of publication: A self-assembled peptide mimetic of a tubular host and a supramolecular polymer
• Authors of publication: Paikar, Arpita; Pramanik, Apurba; Das, Tanmay; Haldar, Debasish
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 396
• a: 19.7793 ± 0.0008 Å
• b: 19.7793 ± 0.0008 Å
• c: 11.2095 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3797.9 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No