Information card for entry 2008623

Structure parameters

• Chemical name: 6-(cyclohexylmethylene)salicylic acid
• Formula: C14 H18 O3
• Calculated formula: C14 H18 O3
• SMILES: O=C(O)c1c(O)cccc1CC1CCCCC1
• Title of publication: Analogues of anacardic acids: 6-(cyclohexylmethyl)salicylic acid and 6-(2-cyclohexylethyl)salicylic acid
• Authors of publication: Bourne, Susan A; Green, Ivan R; Tocoli, Felismino E
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: IUC9900063
• a: 21.913 ± 0.002 Å
• b: 5.254 ± 0.002 Å
• c: 23.553 ± 0.002 Å
• α: 90°
• β: 112.41 ± 0.02°
• γ: 90°
• Cell volume: 2506.9 ± 1.1 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes