Information card for entry 7160142

Structure parameters

• Formula: C35 H27 N O2 S
• Calculated formula: C35 H27 N O2 S
• Title of publication: Enantioselective Organocatalyzed One-Pot Synthesis of N-Phenyl Thioether-tethered Tetrasubstituted Dihydropyrrole-3- carbaldehydes
• Authors of publication: Pandidurai, Solai; Sekar, G.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 8.8836 ± 0.0016 Å
• b: 11.1569 ± 0.0018 Å
• c: 27.77 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2752.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No