Information card for entry 4033503

Structure parameters

• Formula: C17 H12 F2 O4 S
• Calculated formula: C17 H12 F2 O4 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)c1c(=O)c2cc(cc(c2oc1C)F)F
• Title of publication: Cu(OAc)₂ Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.
• Authors of publication: Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 4
• Pages of publication: 2361 - 2368
• a: 10.374 ± 0.003 Å
• b: 11.581 ± 0.003 Å
• c: 19.365 ± 0.005 Å
• α: 89.312 ± 0.006°
• β: 79.036 ± 0.006°
• γ: 81.936 ± 0.007°
• Cell volume: 2261.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No