Information card for entry 1543162

Structure parameters

• Formula: C17 H13 N O3 S
• Calculated formula: C17 H13 N O3 S
• SMILES: S1(=O)(=O)N(C(=O)c2c1c1ccccc1c1c2ccc(c1)C)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: 21.2968 ± 0.0003 Å
• b: 7.11439 ± 0.00011 Å
• c: 21.9163 ± 0.0004 Å
• α: 90°
• β: 108.646 ± 0.0018°
• γ: 90°
• Cell volume: 3146.32 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No