Information card for entry 1573074

Structure parameters

• Chemical name: 8
• Formula: C19 H14 N4 O2 S4
• Calculated formula: C19 H14 N4 O2 S4
• Title of publication: Pd(ii)-catalyzed enantioselective C-H olefination and photoregulation of sterically hindered diarylethenes.
• Authors of publication: Zhang, Guanlun; Wu, Xu; Mao, Shiyu; Li, Mengqi; Hu, Honglong; Shi, Bing-Feng; Zhu, Wei-Hong
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 47
• Pages of publication: 20013 - 20021
• a: 7.7696 ± 0.0004 Å
• b: 15.7256 ± 0.0008 Å
• c: 19.9214 ± 0.001 Å
• α: 97.434 ± 0.002°
• β: 92.683 ± 0.002°
• γ: 90.008 ± 0.002°
• Cell volume: 2410.9 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No