Information card for entry 4121100

Structure parameters

• Formula: C20 H22 F2 N2 S3 Si2
• Calculated formula: C20 H22 F2 N2 S3 Si2
• Title of publication: Controllable Direct Arylation: Fast Route to Symmetrical and Unsymmetrical 4,7-Diaryl-5,6-difluoro-2,1,3-benzothiadiazole Derivatives for Organic Optoelectronic Materials
• Authors of publication: Junxiang Zhang; Wayne Chen; Anthony J. Rojas; Evgheni V. Jucov; Tatiana V. Timofeeva; Timothy C. Parker; Stephen Barlow; Seth R. Marder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 16376 - 16379
• a: 6.1739 ± 0.0009 Å
• b: 10.7483 ± 0.0015 Å
• c: 33.914 ± 0.005 Å
• α: 90°
• β: 91.104 ± 0.002°
• γ: 90°
• Cell volume: 2250.1 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No