Information card for entry 7160228

Structure parameters

• Formula: C30 H22 N2 O3 S
• Calculated formula: C30 H22 N2 O3 S
• Title of publication: Synthesis of diarylsulphide/diarylselenide embedded pyrazole-fused isocoumarins and isatin/ninhydrin hydrazones via acid catalyzed solvent and temperature controlled reactions
• Authors of publication: Panja, Sayanwita; Dhurey, Arun; Pramanik, Animesh
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 7.882 ± 0.0011 Å
• b: 10.6903 ± 0.0015 Å
• c: 15.608 ± 0.002 Å
• α: 81.608 ± 0.005°
• β: 82.326 ± 0.005°
• γ: 68.92 ± 0.005°
• Cell volume: 1209.3 ± 0.3 ų
• Cell temperature: 298.95 K
• Ambient diffraction temperature: 298.95 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: 0.1222
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No