Information card for entry 7160599

Structure parameters

• Formula: C18 H18 O7 S
• Calculated formula: C18 H18 O7 S
• Title of publication: One-pot synthesis of sulfonylmethyl phthalides <i>via</i> K₂S₂O₈/DMSO-mediated methylenylation/sulfonylation of eudesmic acid with sulfinates.
• Authors of publication: Chang, Meng-Yang; Ou, Chen-Yo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 27
• Pages of publication: 6603 - 6609
• a: 10.5691 ± 0.0004 Å
• b: 12.9071 ± 0.0005 Å
• c: 14.2075 ± 0.0004 Å
• α: 109.751 ± 0.003°
• β: 93.26 ± 0.003°
• γ: 105.188 ± 0.004°
• Cell volume: 1737.7 ± 0.12 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.052
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No