Information card for entry 2221538

Structure parameters

• Chemical name: Methyl (2'-hydroxybiphenyl-2-yloxy)acetate
• Formula: C15 H14 O4
• Calculated formula: C15 H14 O4
• SMILES: COC(=O)COc1ccccc1c1ccccc1O
• Title of publication: Methyl (2'-hydroxybiphenyl-2-yloxy)acetate
• Authors of publication: Rabnawaz, Muhammad; Khan, Burhan; Shah, Muhammad Raza; Anis, Itrat; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o931
• a: 10.9221 ± 0.0002 Å
• b: 7.5592 ± 0.0001 Å
• c: 23.347 ± 0.0004 Å
• α: 90°
• β: 98.465 ± 0.001°
• γ: 90°
• Cell volume: 1906.58 ± 0.05 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes