Information card for entry 4109701

Structure parameters

• Formula: C24 H28 N4 O5
• Calculated formula: C24 H28 N4 O5
• SMILES: O=C(N1CCCCC1)CN(C(=O)C)C(Cc1ccccc1)C(=O)Nc1ccc(N(=O)=O)cc1
• Title of publication: Local and Tunable n\ρightarrowπ* Interactions Regulate Amide Isomerism in the Peptoid Backbone
• Authors of publication: Benjamin C. Gorske; Brent L. Bastian; Grant D. Geske; Helen E. Blackwell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8928 - 8929
• a: 19.352 ± 0.003 Å
• b: 9.5462 ± 0.0016 Å
• c: 25.387 ± 0.004 Å
• α: 90°
• β: 90.593 ± 0.002°
• γ: 90°
• Cell volume: 4689.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No