Information card for entry 7124882

Structure parameters

• Formula: C26 H20 O S2
• Calculated formula: C26 H19 O S2
• Title of publication: Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.
• Authors of publication: Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 73
• Pages of publication: 11000 - 11003
• a: 22.945 ± 0.01 Å
• b: 11.378 ± 0.004 Å
• c: 16.575 ± 0.006 Å
• α: 90°
• β: 111.887 ± 0.012°
• γ: 90°
• Cell volume: 4015 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1679
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2161
• Weighted residual factors for all reflections included in the refinement: 0.2571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No