Information card for entry 1540508

Structure parameters

• Formula: C10 H18 O2
• Calculated formula: C10 H18 O2
• Title of publication: Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid
• Authors of publication: Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian
• Journal of publication: Crystals
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 466
• a: 4.1405 ± 0.0002 Å
• b: 15.2839 ± 0.0006 Å
• c: 17.7089 ± 0.0007 Å
• α: 68.3291 ± 0.0011°
• β: 83.385 ± 0.0013°
• γ: 85.0779 ± 0.0012°
• Cell volume: 1033.39 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No