Information card for entry 2208020

Structure parameters

• Chemical name: Ethyl 3,3-bis(benzylsulfanyl)acrylate
• Formula: C19 H20 O2 S2
• Calculated formula: C19 H20 O2 S2
• SMILES: S(Cc1ccccc1)C(=CC(=O)OCC)SCc1ccccc1
• Title of publication: Ethyl 3,3-bis(benzylsulfanyl)acrylate
• Authors of publication: Li-Rong Wen; Wen-Ying Qi; Xiao Wang; Ming Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o453 - o454
• a: 14.582 ± 0.006 Å
• b: 6.909 ± 0.003 Å
• c: 22.653 ± 0.007 Å
• α: 90°
• β: 125.482 ± 0.018°
• γ: 90°
• Cell volume: 1858.4 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.062
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No