Information card for entry 7160668

Structure parameters

• Formula: C17 H12 O3 S
• Calculated formula: C17 H12 O3 S
• Title of publication: One-pot synthesis of sulfonyl benzotropones.
• Authors of publication: Chang, Meng-Yang; Ho, Chin-Huey
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 7780 - 7785
• a: 13.5989 ± 0.0003 Å
• b: 7.2926 ± 0.0002 Å
• c: 13.6091 ± 0.0003 Å
• α: 90°
• β: 94.811 ± 0.002°
• γ: 90°
• Cell volume: 1344.88 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No