Information card for entry 7226850

Structure parameters

• Common name: SC352
• Chemical name: RingBDT(T3CHO)2
• Formula: C48 H40 O4 S8
• Calculated formula: C48 H40 O4 S8
• Title of publication: An Oligothiophene Chromophore with a Macrocyclic Side Chain: Synthesis, Morphology, Charge Transport, and Photovoltaic Performance
• Authors of publication: Venkatesan, Swaminathan; Sun, Jianyuan; Zhang, Lianjie; Dubey, Ashish; Sykes, Andrew; Lin, Ting-Yu; Hung, Yu-Chueh; Qiao, Qiquan; Zhang, Cheng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 19.7883 ± 0.0017 Å
• b: 10.4567 ± 0.0009 Å
• c: 20.906 ± 0.0018 Å
• α: 90°
• β: 95.94 ± 0.001°
• γ: 90°
• Cell volume: 4302.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No