Information card for entry 2010231

Structure parameters

• Formula: C17 H16 O5
• Calculated formula: C17 H16 O5
• SMILES: COc1ccc(cc1)/C=C(C(=O)O)\Oc1ccccc1OC
• Title of publication: (<i>Z</i>)-2-(2-Methoxyphenoxy)-3-(4-methoxyphenyl)propenoic acid
• Authors of publication: Stomberg, R.; Ibrahim, W.; Li, S.; Lundquist, K.; Westermark, U.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2019 - 2022
• a: 10.113 ± 0.002 Å
• b: 10.546 ± 0.002 Å
• c: 8.618 ± 0.001 Å
• α: 105.64 ± 0.02°
• β: 102.1 ± 0.02°
• γ: 113.63 ± 0.02°
• Cell volume: 756.5 ± 0.3 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 2.37
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No