Information card for entry 4106861

Structure parameters

• Formula: C16 H18 N2 O2
• Calculated formula: C16 H18 N2 O2
• SMILES: O=C(N)CN(C(=O)C)[C@@H](C)c1c2ccccc2ccc1
• Title of publication: Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains
• Authors of publication: Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15559 - 15567
• a: 7.4496 ± 0.0002 Å
• b: 7.5774 ± 0.0002 Å
• c: 25.0094 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1411.75 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0267
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No