Information card for entry 4509572

Structure parameters

• Formula: C26 H37 N3 O5
• Calculated formula: C26 H33 N3 O5
• SMILES: C1(=O)C(CC#CCNC(=O)C(CC#CCNC(=O)C(CC#CCN1)(C)C)(C)C)(C)C.C(C)(=O)O
• 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: 10.5167 ± 0.0009 Å
• b: 19.4581 ± 0.0016 Å
• c: 26.198 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5361 ± 0.8 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.2348
• Weighted residual factors for all reflections included in the refinement: 0.2688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No