Information card for entry 2233737

Structure parameters

• Chemical name: 1-Ethenyl-4-[(phenylsulfanyl)methyl]benzene
• Formula: C15 H14 S
• Calculated formula: C15 H14 S
• SMILES: S(Cc1ccc(cc1)C=C)c1ccccc1
• Title of publication: 1-Ethenyl-4-[(phenylsulfanyl)methyl]benzene
• Authors of publication: Avila-Sorrosa, Alcives; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o637
• a: 8.3042 ± 0.0019 Å
• b: 14.642 ± 0.003 Å
• c: 10.37 ± 0.002 Å
• α: 90°
• β: 92.912 ± 0.004°
• γ: 90°
• Cell volume: 1259.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0891
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes