Information card for entry 4509573

Structure parameters

• Formula: C25 H35 Cl2 N3 O3
• Calculated formula: C25.001 H35.002 Cl2.001 N3 O3
• 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: 15.995 ± 0.007 Å
• b: 10.034 ± 0.003 Å
• c: 17.137 ± 0.009 Å
• α: 90°
• β: 106.26 ± 0.04°
• γ: 90°
• Cell volume: 2640 ± 2 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 5
• 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: 0.1028
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2228
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54056 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No