Information card for entry 2200364

Structure parameters

• Formula: C17 H18 O3
• Calculated formula: C17 H18 O3
• SMILES: Oc1c(C\C=C(C(=O)OCC)/C)c2c(cc1)cccc2
• Title of publication: Ethyl (<i>E</i>)-4-(2-hydroxy-1-naphthyl)-2-methyl-2-butenoate
• Authors of publication: Jevric, Martyn; Taylor, Dennis K.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o426 - o427
• a: 9.273 ± 0.002 Å
• b: 4.877 ± 0.002 Å
• c: 31.976 ± 0.005 Å
• α: 90°
• β: 92.76 ± 0.02°
• γ: 90°
• Cell volume: 1444.4 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes