Information card for entry 2010152

Structure parameters

• Formula: C18 H20 O4
• Calculated formula: C18 H20 O4
• SMILES: O1COc2cc(c(OCC)cc12)C(C)c1ccc(OC)cc1
• Title of publication: 5-Ethoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
• Authors of publication: Ala, P.; Yang, D.S.C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1832 - 1834
• a: 19.863 ± 0.002 Å
• b: 8.644 ± 0.002 Å
• c: 9.417 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1616.9 ± 0.5 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.43
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No