Information card for entry 7105653

Structure parameters

• Formula: C19 H22 B I O2 S
• Calculated formula: C19 H22 B I O2 S
• Title of publication: Selective synthesis of dibenzo[a,c]cyclooctatetraenes via palladium-catalyzed [4+4] cyclic homocoupling of borylvinyl iodobenzene derivatives.
• Authors of publication: Zhang, Hui-jun; Wei, Junnian; Zhao, Fei; Liang, Yun; Wang, Zitao; Xi, Zhenfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 39
• Pages of publication: 7439 - 7441
• a: 7.7475 ± 0.0004 Å
• b: 14.4249 ± 0.0008 Å
• c: 34.686 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3876.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No