Information card for entry 8103374

Structure parameters

• Formula: C18 H14 O S2
• Calculated formula: C18 H14 O S2
• SMILES: c1cccc2c(c(c3c(ccs3)C)oc12)c1c(ccs1)C
• Title of publication: Crystal structure of 2,3-bis(3-methylthiophen-2-yl)benzofuran, C18H14OS2
• Authors of publication: Xiaochuan Li; Yunfeng Xu; Young-A Son
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 235
• a: 9.47 ± 0.002 Å
• b: 9.754 ± 0.002 Å
• c: 10.458 ± 0.002 Å
• α: 64.773 ± 0.002°
• β: 67.786 ± 0.002°
• γ: 62.736 ± 0.002°
• Cell volume: 756.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1316
• 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: No