Information card for entry 4033502

Structure parameters

• Formula: C18 H16 O4 S
• Calculated formula: C18 H16 O4 S
• SMILES: S(=O)(=O)(C1C(=O)c2c(OC=1CC)cccc2)c1ccc(C)cc1
• 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: 8.922 ± 0.002 Å
• b: 10.14 ± 0.002 Å
• c: 10.581 ± 0.002 Å
• α: 95.636 ± 0.005°
• β: 113.616 ± 0.004°
• γ: 113.126 ± 0.004°
• Cell volume: 768.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No