Information card for entry 4515172

Structure parameters

• Formula: C21 H15 N
• Calculated formula: C21 H15 N
• SMILES: c12c(c3ccccc3c3ccccc13)n(c1c2cccc1)C
• Title of publication: Facile-Effective Hole-Transporting Materials Based on Dibenzo[a,c]carbazole: The Key Role of Linkage Position to Photovoltaic Performance of Perovskite Solar Cells
• Authors of publication: Liu, Fan; Wu, Fei; Ling, Weidong; Tu, Zongxiao; Zhang, Jianqi; Wei, Zhixiang; Zhu, Linna; Li, Qianqian; Li, Zhen
• Journal of publication: ACS Energy Letters
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 2514
• a: 24.823 ± 0.005 Å
• b: 10.2507 ± 0.0019 Å
• c: 11.275 ± 0.002 Å
• α: 90°
• β: 103.362 ± 0.004°
• γ: 90°
• Cell volume: 2791.3 ± 0.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No