Information card for entry 7237402

Structure parameters

• Formula: C18 H12.5 F2 S
• Calculated formula: C18 H12 F2 S
• Title of publication: Design, synthesis and photochromism studies of thienyl containing triarylethylene derivatives and their applications in real-time photoresponsive surfaces
• Authors of publication: Wang, Leyu; Yu, Tao; Xie, Zongliang; Chen, Xiaojie; Yang, Zhan; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 32
• Pages of publication: 8832
• a: 9.2899 ± 0.0003 Å
• b: 19.4917 ± 0.0007 Å
• c: 31.1683 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5643.8 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No