Information card for entry 7159535

Structure parameters

• Formula: C26 H25 N O5 S
• Calculated formula: C26 H25 N O5 S
• 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: 9.7342 ± 0.0007 Å
• b: 12.3271 ± 0.0009 Å
• c: 21.0097 ± 0.0015 Å
• α: 98.273 ± 0.002°
• β: 95.45 ± 0.002°
• γ: 104.946 ± 0.002°
• Cell volume: 2387.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No