Information card for entry 7159536

Structure parameters

• Formula: C23 H20 O2 S
• Calculated formula: C23 H20 O2 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)Cc1c(c2ccccc2c2ccccc12)C
• Title of publication: Radical-mediated sulfonylative/thiolative cyclization of biaryl enones to phenanthrone derivatives.
• Authors of publication: Raji Reddy, Chada; Fatima, Sana; Kolgave, Dattahari H.; Sridhar, Balasubramanian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 36
• Pages of publication: 7327 - 7338
• a: 14.441 ± 0.004 Å
• b: 4.9171 ± 0.0015 Å
• c: 25.385 ± 0.007 Å
• α: 90°
• β: 103.485 ± 0.009°
• γ: 90°
• Cell volume: 1752.8 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.1519
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No