Information card for entry 2009991

Structure parameters

• Formula: C22 H20 O6
• Calculated formula: C22 H20 O6
• SMILES: O1C(=O)C(=C(CC1c1ccc(OC)cc1)/C=C/c1ccc(OC)cc1)C(=O)O
• Title of publication: Synthèses et structures de deux acides 5,6-dihydro-6-[aryl]-4-{2-[aryl]-éthényl}-2-oxo-2<i>H</i>-pyrane-3-carboxylique
• Authors of publication: Valla, Alain; Giraud, Michel; Ginderow, Daria
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1314 - 1318
• a: 20.533 ± 0.008 Å
• b: 7.683 ± 0.003 Å
• c: 12.088 ± 0.005 Å
• α: 90°
• β: 99.57 ± 0.04°
• γ: 90°
• Cell volume: 1880.4 ± 1.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 1.849
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: radiation:CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No