Information card for entry 7107173

Structure parameters

• Formula: C25 H37 N3 O4
• Calculated formula: C25 H37 N3 O4
• SMILES: O(C(=O)Nc1cc(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)ccc1)C(C)(C)C
• Title of publication: Supramolecular double helix from capped ?-peptide
• Authors of publication: Suman Maity; Sibaprasad Maity; Poulami Jana; Debasish Haldar
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 711
• a: 12.4834 ± 0.0008 Å
• b: 13.8403 ± 0.0009 Å
• c: 14.9746 ± 0.001 Å
• α: 91.506 ± 0.004°
• β: 95.452 ± 0.004°
• γ: 90.632 ± 0.004°
• Cell volume: 2574.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0661
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No