Information card for entry 2213195

Structure parameters

• Chemical name: (<i>R</i>,<i>R</i>)-(+)-2-(2-Methacryloyloxy)-1,2-diphenylethanol
• Formula: C18 H18 O3
• Calculated formula: C18 H18 O3
• SMILES: O[C@@H]([C@H](OC(=O)C(=C)C)c1ccccc1)c1ccccc1
• Title of publication: (<i>R</i>,<i>R</i>)-(+)-2-(2-Methacryloyloxy)-1,2-diphenylethanol
• Authors of publication: Rodríguez de Barbarín, Cecilia; Percino, M. Judith; Chapela, Victor M.; Alcantarilla, Tony
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2684 - o2685
• a: 12.094 ± 0.005 Å
• b: 5.756 ± 0.003 Å
• c: 12.503 ± 0.006 Å
• α: 90°
• β: 118.18 ± 0.02°
• γ: 90°
• Cell volume: 767.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes