Information card for entry 2237467

Structure parameters

• Chemical name: Methyl 3',4',5'-trimethoxybiphenyl-4-carboxylate
• Formula: C17 H18 O5
• Calculated formula: C17 H18 O5
• SMILES: COC(=O)c1ccc(cc1)c1cc(OC)c(c(c1)OC)OC
• Title of publication: Methyl 3',4',5'-trimethoxybiphenyl-4-carboxylate
• Authors of publication: Lahtinen, Manu; Nättinen, Kalle; Nummelin, Sami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o383
• a: 7.9103 ± 0.0005 Å
• b: 8.6054 ± 0.0007 Å
• c: 11.8779 ± 0.0007 Å
• α: 92.834 ± 0.006°
• β: 92.448 ± 0.005°
• γ: 115.822 ± 0.007°
• Cell volume: 725.06 ± 0.1 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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 all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes