Information card for entry 7237637

Structure parameters

• Common name: PDO2
• Chemical name: 3,7-bis(bis(4-methoxyphenyl)amino)-10-(4-(bis(4-methoxyphenyl)amino)phenyl)-10H-phenothiazine 5,5-dioxide
• Formula: C60 H52 N4 O8 S
• Calculated formula: C60 H52 N4 O8 S
• Title of publication: Highly efficient phenothiazine 5,5-dioxide-based hole transport materials for planar perovskite solar cells with a PCE exceeding 20%
• Authors of publication: Ding, Xingdong; Chen, Cheng; Sun, Linghao; Li, Hongping; Chen, Hong; Su, Jie; Li, Huaming; Li, Henan; Xu, Li; Cheng, Ming
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 9510
• a: 12.914 ± 0.0007 Å
• b: 22.0318 ± 0.0014 Å
• c: 17.9982 ± 0.0014 Å
• α: 90°
• β: 97.635 ± 0.006°
• γ: 90°
• Cell volume: 5075.4 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2294
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No