Information card for entry 1507020

Structure parameters

• Formula: C40 H50 S2 Si2
• Calculated formula: C40 H50 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: 8.7865 ± 0.0003 Å
• b: 17.6967 ± 0.0007 Å
• c: 12.1065 ± 0.0005 Å
• α: 90°
• β: 90.4638 ± 0.0018°
• γ: 90°
• Cell volume: 1882.4 ± 0.13 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.1011
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.389
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No