Information card for entry 4133936

Structure parameters

• Formula: C83 H74 N6 O8
• Calculated formula: C83 H74 N6 O8
• SMILES: O(c1ccc(N(c2cc3C4(c5c(N(C)c6c4cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc6)ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)c5)c4c(N(C)c3cc2)ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)c4)c2ccc(OC)cc2)cc1)C
• Title of publication: Doped but stable: spirobisacridine hole transporting materials for hysteresis-free and stable perovskite solar cells.
• Authors of publication: Drigo, Nikita A.; Roldán-Carmona, Cristina; Franckevicius, Marius; Lin, Kun-Han; Gegevi Ius, Rokas; Kim, Hobeom; Schouwink, Pascal A.; Sutanto, Albertus Adrian; Olthof, Selina; Sohail, Muhammad; Meerholz, Klaus; Gulbinas, Vidmantas; Corminboeuf, Clémence; Paek, Sanghyun; Nazeeruddin, Mohammad Khaja
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 14.7252 ± 0.0012 Å
• b: 14.9165 ± 0.0012 Å
• c: 16.888 ± 0.0013 Å
• α: 88.12 ± 0.002°
• β: 66.154 ± 0.002°
• γ: 78.264 ± 0.002°
• Cell volume: 3316.8 ± 0.5 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: 0.0666
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No