Information card for entry 1548856

Structure parameters

• Formula: C44 H36 N2
• Calculated formula: C44 H36 N2
• 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: 8.6947 ± 0.0017 Å
• b: 17.563 ± 0.004 Å
• c: 10.737 ± 0.002 Å
• α: 90°
• β: 97.361 ± 0.004°
• γ: 90°
• Cell volume: 1626.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1702
• Residual factor for significantly intense reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.316
• Weighted residual factors for all reflections included in the refinement: 0.3594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No