Information card for entry 7237632

Structure parameters

• Formula: C100 H127 N2 O2 S12 Si2
• Calculated formula: C100 H127 N2 O2 S12 Si2
• Title of publication: Solubilizing core modifications on high-performing benzodithiophene-based molecular semiconductors and their influences on film nanostructure and photovoltaic performance
• Authors of publication: Lee, Calvin J.; Mitchell, Valerie D.; White, Jonathan; Jiao, Xuechen; McNeill, Christopher R.; Subbiah, Jegadesan; Jones, David J.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 6312
• a: 15.075 ± 0.003 Å
• b: 17.897 ± 0.004 Å
• c: 20.43 ± 0.004 Å
• α: 67.14 ± 0.03°
• β: 81 ± 0.03°
• γ: 77.91 ± 0.03°
• Cell volume: 4949 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.256
• Weighted residual factors for all reflections included in the refinement: 0.2895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71092 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No