Information card for entry 4033500

Structure parameters

• Formula: C17 H14 O4 S
• Calculated formula: C17 H14 O4 S
• SMILES: S(=O)(=O)(c1ccc(C)cc1)C1=C(Oc2ccccc2C1=O)C
• 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: 7.1482 ± 0.0005 Å
• b: 10.6504 ± 0.0007 Å
• c: 11.8975 ± 0.0008 Å
• α: 67.722 ± 0.003°
• β: 80.069 ± 0.003°
• γ: 84.547 ± 0.003°
• Cell volume: 825.16 ± 0.1 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: 0.0347
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No