Information card for entry 7237280

Structure parameters

• Formula: C3.6 H3.8 N0.1 O0.2 S0.1
• Calculated formula: C3.6 H3.8078 N0.1 O0.2 S0.1
• 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: 9.3698 ± 0.0007 Å
• b: 10.9783 ± 0.0008 Å
• c: 15.2591 ± 0.001 Å
• α: 87.38 ± 0.003°
• β: 76.302 ± 0.003°
• γ: 82.659 ± 0.004°
• Cell volume: 1512.28 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No