Information card for entry 7247257

Structure parameters

• Formula: C46 H50 N4 O8 S4
• Calculated formula: C46 H50 N4 O8 S4
• Title of publication: The impact of film deposition and annealing on the nanostructure and dielectric constant of organic semiconductor thin films.
• Authors of publication: Packman, Lachlan; Mallo, Neil; Raynor, Aaron; Gao, Mile; Babazadeh, Mohammad; Jin, Hui; Huang, David M.; Burn, Paul L.; Gentle, Ian R.; Shaw, Paul E.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 35
• Pages of publication: 23867 - 23878
• a: 9.2402 ± 0.0004 Å
• b: 10.7034 ± 0.0005 Å
• c: 22.982 ± 0.0012 Å
• α: 90°
• β: 97.437 ± 0.004°
• γ: 90°
• Cell volume: 2253.83 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0778
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No