Information card for entry 1507018

Structure parameters

• Formula: C54 H66 S2 Si2
• Calculated formula: C54 H66 S2 Si2
• Title of publication: Stable, crystalline acenedithiophenes with up to seven linearly fused rings.
• Authors of publication: Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 19
• Pages of publication: 3325 - 3328
• a: 8.5098 ± 0.0002 Å
• b: 11.748 ± 0.0002 Å
• c: 12.9896 ± 0.0004 Å
• α: 76.8314 ± 0.001°
• β: 86.725 ± 0.001°
• γ: 68.9497 ± 0.001°
• Cell volume: 1179.64 ± 0.05 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No