Information card for entry 7160671

Structure parameters

• Formula: C25 H14 F6 O5 S2
• Calculated formula: C25 H14 F6 O5 S2
• 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: 5.3945 ± 0.0001 Å
• b: 35.2609 ± 0.0006 Å
• c: 14.1439 ± 0.0002 Å
• α: 90°
• β: 100.071 ± 0.001°
• γ: 90°
• Cell volume: 2648.93 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No