Information card for entry 7150883

Structure parameters

• Formula: C13 H25 N3 O3
• Calculated formula: C13 H25 N3 O3
• Title of publication: Propensity for local folding induced by the urea fragment in short-chain oligomers
• Authors of publication: Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2596 - 2610
• a: 9.4284 ± 0.0002 Å
• b: 15.824 ± 0.0003 Å
• c: 21.002 ± 0.0005 Å
• α: 90°
• β: 98.536 ± 0.002°
• γ: 90°
• Cell volume: 3098.68 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No