Information card for entry 4517592

Structure parameters

• Formula: C32 H26 Br4 O
• Calculated formula: C32 H26 Br4 O
• 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: 6.4195 ± 0.0003 Å
• b: 10.8173 ± 0.0006 Å
• c: 11.1868 ± 0.0006 Å
• α: 104.935 ± 0.005°
• β: 96.182 ± 0.004°
• γ: 106.722 ± 0.005°
• Cell volume: 704.83 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No