Information card for entry 7124885

Structure parameters

• Formula: C29 H20 S2
• Calculated formula: C29 H20 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: 15.8061 ± 0.0019 Å
• b: 6.3393 ± 0.0008 Å
• c: 21.023 ± 0.003 Å
• α: 90°
• β: 95.291 ± 0.003°
• γ: 90°
• Cell volume: 2097.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No