Information card for entry 2201189

Structure parameters

• Chemical name: (E)-1,2-bis(methylthio)-1,2-diphenylethylene
• Formula: C16 H16 S2
• Calculated formula: C16 H16 S2
• SMILES: CSC(=C(\c1ccccc1)SC)/c1ccccc1
• Title of publication: Monoclinic form of (<i>E</i>)-1,2-bis(methylthio)-1,2-diphenylethylene
• Authors of publication: Rieger, Anne L.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o578 - o579
• a: 5.2034 ± 0.0002 Å
• b: 8.5978 ± 0.0003 Å
• c: 15.9048 ± 0.0006 Å
• α: 90°
• β: 90.112 ± 0.001°
• γ: 90°
• Cell volume: 711.54 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes