Information card for entry 1548858

Structure parameters

• Formula: C46 H34 N4
• Calculated formula: C46 H34 N4
• SMILES: Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc2c3ccc(c4c(c(cc(c2c1)c34)C#N)C#N)N(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.
• Authors of publication: Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 2698 - 2704
• a: 11.856 ± 0.007 Å
• b: 12.147 ± 0.007 Å
• c: 13.446 ± 0.008 Å
• α: 102.687 ± 0.008°
• β: 111.422 ± 0.008°
• γ: 93.005 ± 0.009°
• Cell volume: 1739.8 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1331
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No