Information card for entry 7237780

Structure parameters

• Formula: C64 H56 N2 O12
• Calculated formula: C64 H56 N2 O12
• Title of publication: A partially-planarised hole-transporting quart-p-phenylene for perovskite solar cells
• Authors of publication: Mora-Fuentes, Juan P.; Cortizo-Lacalle, Diego; Collavini, Silvia; Strutyński, Karol; Tress, Wolfgang R.; Saliba, Michael; Zakeeruddin, Shaik M.; Kosta, Ivet; Melle-Franco, Manuel; Grätzel, Michael; Delgado, Juan Luis; Mateo-Alonso, Aurelio
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 15
• Pages of publication: 4332
• a: 26.1955 ± 0.0007 Å
• b: 11.4152 ± 0.0002 Å
• c: 19.6629 ± 0.0004 Å
• α: 90°
• β: 110.559 ± 0.003°
• γ: 90°
• Cell volume: 5505.3 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No