Information card for entry 4517591

Structure parameters

• Formula: C44 H41 Cl4 N2 O4
• Calculated formula: C44 H41 Cl4 N2 O4
• Title of publication: Tetraphenylbutadiene-Based Symmetric 3D Hole-Transporting Materials for Perovskite Solar Cells: A Trial Trade-off between Charge Mobility and Film Morphology.
• Authors of publication: Chen, Jian; Xia, Jianxing; Gao, Wei-Jie; Yu, Hui-Juan; Zhong, Jun-Xing; Jia, Chunyang; Qin, Yuan-Shou; She, Zhigang; Kuang, Dai-Bin; Shao, Guang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 24.3715 ± 0.0003 Å
• b: 8.7872 ± 0.0001 Å
• c: 37.3337 ± 0.0004 Å
• α: 90°
• β: 95.671 ± 0.001°
• γ: 90°
• Cell volume: 7956.15 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No