Information card for entry 7236294

Structure parameters

• Common name: SFX-TPTZ
• Chemical name: 2, 2?, 7, 7?-Tetrakis (N- phenothiazylo) - spiro (fluorene-9, 9?-xanthene)
• Formula: C76 H51 N4 O S4
• Calculated formula: C73 H44 N4 O S4
• 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: 35.54 ± 0.0014 Å
• b: 9.8814 ± 0.0002 Å
• c: 36.3474 ± 0.0014 Å
• α: 90°
• β: 119.018 ± 0.005°
• γ: 90°
• Cell volume: 11162.3 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No