Information card for entry 2207301

Structure parameters

• Common name: Elaidic acid
• Chemical name: trans-9-octadecenoic acid
• Formula: C18 H34 O2
• Calculated formula: C18 H34 O2
• SMILES: C(=O)(O)CCCCCCC/C=C/CCCCCCCC
• Title of publication: Elaidic acid (<i>trans</i>-9-octadecenoic acid)
• Authors of publication: Low, John Nicolson; Scrimgeour, Charlie; Horton, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3730 - o3732
• a: 98.48 ± 0.02 Å
• b: 4.9381 ± 0.0003 Å
• c: 7.1826 ± 0.0008 Å
• α: 90°
• β: 92.57 ± 0.012°
• γ: 90°
• Cell volume: 3489.4 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2316
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes