Information card for entry 2217074

Structure parameters

• Chemical name: (E)-2-(Cyclohexylmethylene)succinic acid
• Formula: C11 H16 O4
• Calculated formula: C11 H16 O4
• SMILES: O=C(O)/C(=C/C1CCCCC1)CC(=O)O
• Title of publication: (<i>E</i>)-2-(Cyclohexylmethylene)succinic acid
• Authors of publication: Wei Wang; Yi Deng; Xiao-hui Cao; Yue Wang; Ling Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o336 - o336
• a: 10.53 ± 0.002 Å
• b: 18.762 ± 0.004 Å
• c: 16.982 ± 0.003 Å
• α: 90°
• β: 91.42 ± 0.03°
• γ: 90°
• Cell volume: 3354 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes