Information card for entry 2203200

Structure parameters

• Chemical name: (Z)-3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-2-propenoic acid
• Formula: C18 H18 O6
• Calculated formula: C18 H18 O6
• SMILES: c1(cc(c(cc1)OC)OC)/C=C(C(=O)O)\Oc1c(cccc1)OC
• Title of publication: (<i>Z</i>)-3-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)-2-propenoic acid
• Authors of publication: Langer, Vratislav; Li, Shiming; Lundquist, Knut; Stomberg, Rolf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o165 - o167
• a: 8.92 ± 0.007 Å
• b: 12.053 ± 0.006 Å
• c: 15.658 ± 0.006 Å
• α: 90°
• β: 101.7 ± 0.04°
• γ: 90°
• Cell volume: 1648.5 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes