Information card for entry 4509576

Structure parameters

• Formula: C16 H22 N2 O2
• Calculated formula: C16 H22 N2 O2
• 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: 9.825 ± 0.004 Å
• b: 11.792 ± 0.005 Å
• c: 21.229 ± 0.01 Å
• α: 99.35 ± 0.005°
• β: 95.583 ± 0.007°
• γ: 105.412 ± 0.005°
• Cell volume: 2313.9 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.2625
• Residual factor for significantly intense reflections: 0.1239
• Weighted residual factors for significantly intense reflections: 0.2874
• Weighted residual factors for all reflections included in the refinement: 0.3696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No