Information card for entry 2238389

Structure parameters

• Chemical name: Ethyl (<i>Z</i>)-4'-(4-ethoxy-1-hydroxy-3,4-dioxobut-1-en-1-yl)-[1,1'-biphenyl]-3-carboxylate
• Formula: C21 H20 O6
• Calculated formula: C21 H20 O6
• SMILES: CCOC(=O)C(=O)/C=C(/c1ccc(cc1)c1cccc(c1)C(=O)OCC)O
• Title of publication: Ethyl (<i>Z</i>)-4'-(4-ethoxy-1-hydroxy-3,4-dioxobut-1-en-1-yl)-[1,1'-biphenyl]-3-carboxylate
• Authors of publication: Ishikawa, Yoshinobu; Ugai, Atsushi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1231
• a: 26.572 ± 0.016 Å
• b: 12.194 ± 0.005 Å
• c: 11.213 ± 0.006 Å
• α: 90°
• β: 96.03 ± 0.05°
• γ: 90°
• Cell volume: 3613 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes