Information card for entry 7237636

Structure parameters

• Common name: PDO1
• Chemical name: 3,7-bis(bis(4-methoxyphenyl)amino)-10-(4-methoxyphenyl)-10H-phenothiazine 5,5-dioxide
• Formula: C47 H41 N3 O7 S
• Calculated formula: C47 H41 N3 O7 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: 40.4587 ± 0.0008 Å
• b: 11.7583 ± 0.0002 Å
• c: 17.7354 ± 0.0003 Å
• α: 90°
• β: 105.271 ± 0.002°
• γ: 90°
• Cell volume: 8139.3 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.058
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No