Information card for entry 1572140

Structure parameters

• Formula: C48 H34 N2 S
• Calculated formula: C48 H34 N2 S
• Title of publication: Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers.
• Authors of publication: Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 32
• Pages of publication: 13001 - 13010
• a: 14.2638 ± 0.001 Å
• b: 17.9124 ± 0.0012 Å
• c: 14.1231 ± 0.001 Å
• α: 90°
• β: 105.354 ± 0.008°
• γ: 90°
• Cell volume: 3479.6 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No