Information card for entry 7249649

Structure parameters

• Formula: C41 H41 N2 O2 S
• Calculated formula: C41 H41 N2 O2 S
• Title of publication: Time-Resolved Transient Optical and Electron Paramagnetic Resonance Spectroscopic Studies of Electron Donor-Acceptor Thermally Activated Delayed Fluorescence Emitters based on Naphthalene-Phenothiazine Dyads
• Authors of publication: Ye, Kaiyue; Sukhanov, Andrey; Pang, Yu; Mambetov, Aidar; Li, Minjie; Cao, Liyuan; Zhao, Jianzhang; voronkova, violeta; Peng, Qian; Wan, Yan
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2024
• a: 30.268 ± 0.005 Å
• b: 16.968 ± 0.003 Å
• c: 14.422 ± 0.002 Å
• α: 90°
• β: 115.649 ± 0.005°
• γ: 90°
• Cell volume: 6677.1 ± 1.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1818
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No