Information card for entry 7124332

Structure parameters

• Formula: C26 H22 B Cl F2 O2 S3
• Calculated formula: C26 H22 B Cl F2 O2 S3
• Title of publication: Efficient Green Light-Excited Switches Based on Dithienylethenes with BF2-doped π-Conjugated Systems
• Authors of publication: Li, Ziyong; Dai, Yijie; Lu, Zhiqiang; Pei, Yingying; Chen, Hong; Zhang, Lilei; Duan, Ying; Guo, Hui
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.0044 ± 0.0005 Å
• b: 11.4822 ± 0.0008 Å
• c: 16.6812 ± 0.0011 Å
• α: 80.569 ± 0.006°
• β: 84.056 ± 0.005°
• γ: 72.088 ± 0.006°
• Cell volume: 1436.8 ± 0.17 ų
• Cell temperature: 293.43 ± 0.1 K
• Ambient diffraction temperature: 293.43 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1863
• Residual factor for significantly intense reflections: 0.1213
• Weighted residual factors for significantly intense reflections: 0.3805
• Weighted residual factors for all reflections included in the refinement: 0.4227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.321
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No