Information card for entry 1569838

Structure parameters

• Common name: DAP
• Chemical name: 20,21-dimethyl-20,21-dihydro-9H-dibenzo[a,i]benzo[4,5]indolo[3,2-c]benzo[4,5]indolo[2,3-g]carbazole
• Formula: C50 H43 N3 O2
• Calculated formula: C50 H43 N3 O2
• Title of publication: Molecular engineering of nitrogen-rich helicene based organic semiconductors for stable perovskite solar cells.
• Authors of publication: Wei, Yuefang; Cai, Yaohang; He, Lifei; Zhang, Yuyan; Yuan, Yi; Zhang, Jing; Wang, Peng
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 37
• Pages of publication: 10285 - 10296
• a: 10.8046 ± 0.0004 Å
• b: 22.285 ± 0.0007 Å
• c: 15.2955 ± 0.0004 Å
• α: 90°
• β: 92.948 ± 0.001°
• γ: 90°
• Cell volume: 3678 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• 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: 0.0812
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No