Information card for entry 4025677

Structure parameters

• Formula: C17 H23 N3 O3
• Calculated formula: C17 H23 N3 O3
• SMILES: O=C(N1CCCCC1)CN(C(=O)C)c1ccccc1NC(=O)C
• Title of publication: Construction of Peptoids with All Trans-Amide Backbones and Peptoid Reverse Turns via the Tactical Incorporation of N-Aryl Side Chains Capable of Hydrogen Bonding
• Authors of publication: Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 6068 - 6078
• a: 8.7424 ± 0.0003 Å
• b: 12.4268 ± 0.0004 Å
• c: 15.4933 ± 0.0005 Å
• α: 81.016 ± 0.002°
• β: 81.487 ± 0.002°
• γ: 84.078 ± 0.002°
• Cell volume: 1638.7 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No