Information card for entry 7105967

Structure parameters

• Formula: C25 H39 N3 O7
• Calculated formula: C25 H39 N3 O7
• SMILES: Oc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C(=O)N[C@@H](CC(C)C)C(=O)OC)(C)C)cc1
• Title of publication: A new peptide motif in the formation of supramolecular double helices
• Authors of publication: Poulami Jana; Sibaprasad Maity; Suman Kumar Maity; Debasish Haldar
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2092
• a: 10.6501 ± 0.0005 Å
• b: 14.1442 ± 0.0005 Å
• c: 18.3996 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2771.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No