Information card for entry 2010295

Structure parameters

• Chemical name: (Z)-(-)-(R)-β-styryl p-tolyl sulfoxide
• Formula: C15 H14 O S
• Calculated formula: C15 H14 O S
• SMILES: C(=C\S(=O)c1ccc(cc1)C)\c1ccccc1
• Title of publication: (<i>Z</i>)-(‒)-(<i>R</i>)-β-Styryl <i>p</i>-tolyl sulfoxide
• Authors of publication: Declercq, Jean-Paul; Feneau-Dupont, Janine; Louis, Chantal; Hootelé, Claude
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1980 - 1981
• a: 6.061 ± 0.001 Å
• b: 11.439 ± 0.001 Å
• c: 18.858 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1307.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.1203
• Weighted residual factors for significantly intense reflections: 0.1164
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No