Information card for entry 2003865

Structure parameters

• Formula: C18 H20 O4
• Calculated formula: C18 H20 O4
• SMILES: O1COc2c1cc(OC)c(c2)C(C)c1ccc(OCC)cc1
• Title of publication: 6-[1-(4-Ethoxyphenyl)ethyl]-5-methoxy-1,3-benzodioxole
• Authors of publication: Ala, P.; Yang, D. S. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1917 - 1919
• a: 22.662 ± 0.005 Å
• b: 7.671 ± 0.001 Å
• c: 18.443 ± 0.001 Å
• α: 90°
• β: 99.6 ± 0.01°
• γ: 90°
• Cell volume: 3161.2 ± 0.8 ų
• Cell temperature: 296 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: 0.05
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 1.41
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No