Information card for entry 4509571

Structure parameters

• Formula: C27 H39 N3 O4
• Calculated formula: C27 H39 N3 O4
• Title of publication: Supramolecular Walls from Cyclic Peptides: Modulating Nature and Strength of Weak Interactions
• Authors of publication: Baillargeon, Pierre; Dory, Yves L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3638
• a: 16.6187 ± 0.0013 Å
• b: 10.1985 ± 0.0008 Å
• c: 16.7613 ± 0.0013 Å
• α: 90°
• β: 106.534 ± 0.001°
• γ: 90°
• Cell volume: 2723.3 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No