Information card for entry 2001559

Structure parameters

• Formula: C13 H20 O4
• Calculated formula: C13 H20 O4
• SMILES: O=C(O)C1(C=C(OC)C(C(=C1)OC)CC)CC
• Title of publication: Structure of 1,4-diethyl-3,5-dimethoxy-1,4-dihydrobenzoic acid
• Authors of publication: Soriano-García, M.; Iribe, R. V.; Silva, A. L.; Maldonado, L. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 1404 - 1406
• a: 10.701 ± 0.005 Å
• b: 8.999 ± 0.004 Å
• c: 14.97 ± 0.007 Å
• α: 90°
• β: 110.56 ± 0.04°
• γ: 90°
• Cell volume: 1349.8 ± 1.1 ų
• Cell temperature: 293 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 significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for significantly intense reflections: 1.32
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No