Information card for entry 2017004

Structure parameters

• Chemical name: 4'-[2-(2-Ethoxyethoxy)ethoxy]biphenyl-4-carboxylic acid
• Formula: C19 H22 O5
• Calculated formula: C19 H22 O5
• SMILES: c1cc(ccc1c1ccc(cc1)OCCOCCOCC)C(=O)O
• Title of publication: 4'-[2-(2-Ethoxyethoxy)ethoxy]biphenyl-4-carboxylic acid: correlation between its crystalline and smectic phases
• Authors of publication: Montani, Rosana S.; Garay, Raúl O.; Cukiernik, Fabio D.; Garland, Maria T.; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o81 - o84
• a: 25.43 ± 0.007 Å
• b: 7.769 ± 0.002 Å
• c: 8.656 ± 0.002 Å
• α: 90°
• β: 96.187 ± 0.005°
• γ: 90°
• Cell volume: 1700.2 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1058
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes