Information card for entry 4518629

Structure parameters

• Formula: C50 H40 N2 O4
• Calculated formula: C50 H40 N2 O4
• Title of publication: Low-Cost Hole-Transporting Materials Based on Carbohelicene for High-Performance Perovskite Solar Cells
• Authors of publication: Lin, Yeo-Sin; Abate, Seid Yimer; Wang, Chun-I; Wen, Yuh-Sheng; Chen, Chih-I; Hsu, Chao-Ping; Chueh, Chu-Chen; Tao, Yu-Tai; Sun, Shih-Sheng
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2021
• a: 12.0421 ± 0.0002 Å
• b: 19.8448 ± 0.0003 Å
• c: 31.8609 ± 0.0005 Å
• α: 90°
• β: 91.057 ± 0.002°
• γ: 90°
• Cell volume: 7612.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0909
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No