Information card for entry 8102416

Structure parameters

• Formula: C15 H25 N O3
• Calculated formula: C15 H25 N O3
• SMILES: N12CCCCCCC(=O)O[C@@H]([C@@H](C1=O)[C@H]2CCC)C
• Title of publication: Crystal structure of (10R,11S,13R)-10-(methyl)-8,12-dioxo-13-(propyl)-9-oxa-1-aza-bicyclo[9.1.1]-tridecane, C15H25NO3
• Authors of publication: Bernard Tinant; Allan Urbach; Jacqueline Marchand-Brynaert
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 137
• a: 8.859 ± 0.003 Å
• b: 14.07 ± 0.005 Å
• c: 12.344 ± 0.004 Å
• α: 90°
• β: 103.62 ± 0.02°
• γ: 90°
• Cell volume: 1495.4 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No