Information card for entry 4106863

Structure parameters

• Formula: C62 H64 N4 O6
• Calculated formula: C62 H64 N4 O6
• SMILES: O(C(C)(C)C)C(=O)CN([C@@H](C)c1cccc2c1cccc2)C(=O)CN([C@@H](C)c1cccc2c1cccc2)C(=O)CN([C@@H](C)c1cccc2c1cccc2)C(=O)CN(C(=O)C)[C@@H](C)c1cccc2c1cccc2
• 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: 9.5687 ± 0.0004 Å
• b: 21.5564 ± 0.0008 Å
• c: 13.1776 ± 0.0006 Å
• α: 90°
• β: 90.693 ± 0.003°
• γ: 90°
• Cell volume: 2717.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1237
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No