Information card for entry 4514442

Structure parameters

• Formula: C83 H70 Cl2 N4 O8
• Calculated formula: C83 H70 Cl2 N4 O8
• SMILES: ClCCl.c12cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc1c1c(c3c2c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2c2c3cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
• Title of publication: Double-Helicene-Based Hole-Transporter for Perovskite Solar Cells with 22% Efficiency and Operation Durability
• Authors of publication: Ren, Ming; Wang, Jianan; Xie, Xinrui; Zhang, Jing; Wang, Peng
• Journal of publication: ACS Energy Letters
• Year of publication: 2019
• Pages of publication: 2683
• a: 34.337 ± 0.002 Å
• b: 15.5018 ± 0.001 Å
• c: 28.7158 ± 0.0019 Å
• α: 90°
• β: 114.458 ± 0.003°
• γ: 90°
• Cell volume: 13913.4 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.1107
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2754
• Weighted residual factors for all reflections included in the refinement: 0.3098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No