Information card for entry 7132943

Structure parameters

• Formula: C23 H16 F N O S
• Calculated formula: C23 H16 F N O S
• SMILES: s1c(nc2c1cccc2)C(=C\c1c(cccc1)C(=O)C)/c1ccc(F)cc1
• Title of publication: <i>Z</i>-selective radical difunctionalization of aromatic alkynes: synthesis of multi-substituted triarylethenes.
• Authors of publication: Wang, Xinxin; Wang, Jie; Ji, Meishan; Wu, Xinxin; Zhu, Chen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 37
• Pages of publication: 4894 - 4897
• a: 12.5347 ± 0.0007 Å
• b: 15.7748 ± 0.0008 Å
• c: 19.3093 ± 0.001 Å
• α: 90°
• β: 98.0108 ± 0.0016°
• γ: 90°
• Cell volume: 3780.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0927
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No