Information card for entry 1544032

Structure parameters

• Chemical name: 4H4TIDIDF
• Formula: C27 H32 F N S2
• Calculated formula: C27 H32 F N S2
• Title of publication: Indolo[3,2-b]indole-based crystalline hole-transporting material for highly efficient perovskite solar cells.
• Authors of publication: Cho, Illhun; Jeon, Nam Joong; Kwon, Oh Kyu; Kim, Dong Won; Jung, Eui Hyuk; Noh, Jun Hong; Seo, Jangwon; Seok, Sang Il; Park, Soo Young
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 734 - 741
• a: 5.5352 ± 0.0001 Å
• b: 13.7138 ± 0.0002 Å
• c: 17.7912 ± 0.0003 Å
• α: 68.191 ± 0.001°
• β: 82.836 ± 0.001°
• γ: 80.889 ± 0.001°
• Cell volume: 1234.83 ± 0.04 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.1261
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.244
• Weighted residual factors for all reflections included in the refinement: 0.2884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No