Information card for entry 7237281

Structure parameters

• Formula: C3.28 H3.84 Cl0.16 N0.08 O0.16 S0.08
• Calculated formula: C3.28 H3.84 Cl0.16 N0.08 O0.16 S0.08
• Title of publication: Dopant-free hole transport materials based on alkyl-substituted indacenodithiophene for planar perovskite solar cells
• Authors of publication: Liu, Xiaoyuan; Rezaee, Ehsan; Shan, Haiquan; Xu, Jiaju; Zhang, Yin; Feng, Yaomiao; Dai, Junfeng; Chen, Zhi-Kuan; Huang, Wei; Xu, Zong-Xiang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 17
• Pages of publication: 4706
• a: 11.8347 ± 0.0007 Å
• b: 11.848 ± 0.0007 Å
• c: 15.4459 ± 0.0008 Å
• α: 103.656 ± 0.002°
• β: 100.909 ± 0.002°
• γ: 109.745 ± 0.002°
• Cell volume: 1893.2 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No