Information card for entry 2240785

Structure parameters

• Chemical name: (<i>E</i>)-Undec-2-enoic acid
• Formula: C11 H20 O2
• Calculated formula: C11 H20 O2
• SMILES: C(=O)(/C=C/CCCCCCCC)O
• Title of publication: Crystal structure of (<i>E</i>)-undec-2-enoic acid
• Authors of publication: Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o426 - o427
• a: 4.6346 ± 0.0004 Å
• b: 5.42 ± 0.0005 Å
• c: 22.7564 ± 0.0019 Å
• α: 88.386 ± 0.002°
• β: 88.357 ± 0.002°
• γ: 78.34 ± 0.002°
• Cell volume: 559.46 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes