Information card for entry 7160141

Structure parameters

• Formula: C31 H24 Br N O2 S
• Calculated formula: C31 H24 Br 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: 8.2477 ± 0.0002 Å
• b: 10.7805 ± 0.0003 Å
• c: 15.3993 ± 0.0004 Å
• α: 80.6827 ± 0.0013°
• β: 78.5517 ± 0.0012°
• γ: 76.5102 ± 0.0012°
• Cell volume: 1295.32 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No