Information card for entry 1519450

Structure parameters

• Common name: Spiro-OMeTABPDOT
• Chemical name: 4,4',4'',4'''-(2H,2'H,4H,4'H-3,3'-spiro-bi[thieno[3,4-b][1,4]dioxepine]-6, 6',8,8'-tetrayl)tetrakis(N,N-bis(4-methoxyphenyl)aniline)
• Formula: C93 H80 N4 O24 S2
• Calculated formula: C93 H80 N4 O24 S2
• Title of publication: A simple spiro-type hole transporting material for efficient perovskite solar cells
• Authors of publication: Ganesan, Paramaguru; Fu, Kunwu; Gao, Peng; Raabe, Ines; Schenk, Kurt; Scopelliti, Rosario; Luo, Jingshan; Wong, Lydia H.; Grätzel, Michael; Nazeeruddin, Mohammad Khaja
• Journal of publication: Energy Environ. Sci.
• Year of publication: 2015
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 1986
• a: 43.879 ± 0.009 Å
• b: 9.5887 ± 0.0019 Å
• c: 25.05 ± 0.005 Å
• α: 90°
• β: 109.94 ± 0.03°
• γ: 90°
• Cell volume: 9908 ± 4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1885
• Residual factor for significantly intense reflections: 0.1553
• Weighted residual factors for significantly intense reflections: 0.3446
• Weighted residual factors for all reflections included in the refinement: 0.3809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No