Information card for entry 7104411

Structure parameters

• Formula: C35 H22 S2
• Calculated formula: C35 H22 S2
• Title of publication: Gold-catalyzed reaction of enynols by a dimerization-fragmentation process: an expeditious assembly of enyne molecular architecture.
• Authors of publication: Zhang, Yong-Qiang; Chen, Zhi-Hua; Tu, Yong-Qiang; Fan, Chun-An; Zhang, Fu-Min; Wang, Ai-Xia; Yuan, Dao-Yi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 2706 - 2708
• a: 10.4462 ± 0.0003 Å
• b: 11.3402 ± 0.0003 Å
• c: 12.9205 ± 0.0004 Å
• α: 72.464 ± 0.001°
• β: 70.535 ± 0.001°
• γ: 66.002 ± 0.001°
• Cell volume: 1293.72 ± 0.06 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No