Information card for entry 7243786

Structure parameters

• Formula: C26 H24 O S2
• Calculated formula: C26 H24 O S2
• Title of publication: Synthesis of dithienofurans via cascade copper catalysed dual C–S coupling and ring closure reactions under mild conditions
• Authors of publication: Zhou, Lu; Chen, Zhaopeng; Li, Jiahui; Li, Baolin
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 54
• Pages of publication: 34071 - 34078
• a: 5.6526 ± 0.0002 Å
• b: 10.0371 ± 0.0003 Å
• c: 36.8324 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2089.71 ± 0.13 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0533
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No