Information card for entry 1543163

Structure parameters

• Formula: C16 H10 F N O3 S
• Calculated formula: C16 H10 F N O3 S
• SMILES: S1(=O)(=O)N(C(=O)c2c1c1ccccc1c1c2cccc1F)C
• Title of publication: UV Light Induced Direct Synthesis of Phenanthrene Derivatives from a Linear 3-Aryl-N-(arylsulfonyl) Propiolamides.
• Authors of publication: Chen, Ming; Yang, Chao; Wang, Yanpei; Li, Dazhi; Xia, Wujiong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 2280 - 2283
• a: 6.8436 ± 0.0005 Å
• b: 10.3886 ± 0.0006 Å
• c: 9.9058 ± 0.0006 Å
• α: 90°
• β: 104.893 ± 0.007°
• γ: 90°
• Cell volume: 680.6 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No