Information card for entry 4106860

Structure parameters

• Formula: C35 H42 N2 O5
• Calculated formula: C34 H38 N2 O4
• SMILES: O=C(CN([C@H](c1cccc2ccccc12)C)C(=O)CN(C(=O)C)[C@@H](C)c1cccc2ccccc12)OC(C)(C)C
• 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: 16.328 ± 0.003 Å
• b: 16.328 ± 0.003 Å
• c: 10.2112 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2357.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No