Information card for entry 7152263

Structure parameters

• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• SMILES: C(=O)(c1ccccc1/C=C/c1ccc(cc1)OC)O
• Title of publication: Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.
• Authors of publication: Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 2742 - 2752
• a: 11.257 ± 0.002 Å
• b: 5.2096 ± 0.0009 Å
• c: 22.234 ± 0.004 Å
• α: 90°
• β: 104.886 ± 0.008°
• γ: 90°
• Cell volume: 1260.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No