Information card for entry 2238641

Structure parameters

• Chemical name: 6-[(4'-Ethoxycarbonyl-[1,1'-biphenyl]-4-yl)oxy]hexanoic acid
• Formula: C21 H24 O5
• Calculated formula: C21 H24 O5
• SMILES: CCOC(=O)c1ccc(cc1)c1ccc(cc1)OCCCCCC(=O)O
• Title of publication: 6-[(4'-Ethoxycarbonyl-[1,1'-biphenyl]-4-yl)oxy]hexanoic acid
• Authors of publication: López-Velázquez, Delia; Mendoza, Angel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1588
• a: 9.111 ± 0.002 Å
• b: 14.753 ± 0.003 Å
• c: 14.427 ± 0.002 Å
• α: 90°
• β: 100.785 ± 0.014°
• γ: 90°
• Cell volume: 1904.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1272
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No