Information card for entry 7236292

Structure parameters

• Common name: SFX-MeOTAD
• Chemical name: 2, 2?, 7, 7?-Tetrakis (N, N-di(4-methoxyphenyl)amino) - spiro (fluorene-9, 9?-xanthene)
• Formula: C81 H68 N4 O9
• Calculated formula: C81 H68 N4 O9
• Title of publication: SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells
• Authors of publication: Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 13
• Pages of publication: 4855
• a: 10.5201 ± 0.0003 Å
• b: 16.2972 ± 0.0004 Å
• c: 20.9582 ± 0.0006 Å
• α: 68.652 ± 0.002°
• β: 80.004 ± 0.002°
• γ: 71.759 ± 0.002°
• Cell volume: 3171.29 ± 0.16 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No