Information card for entry 7159790

Structure parameters

• Chemical name: none
• Formula: C19 H16 N2 O4
• Calculated formula: C19 H16 N2 O4
• Title of publication: Iodine/DMSO-mediated one-pot access towards 1-aryl-2-(pyrazol-5-yl)ethane-1,2-diones via a domino reaction from functionalized pent-2-ene-1,5-diones
• Authors of publication: Ghatak, Trisha; Shah, Chandan; Althagafi, Ismail; Giri, Nand Gopal; Nath, Mahendra; Pratap, Ramendra
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 9
• Pages of publication: 1859 - 1870
• a: 8.3993 ± 0.0005 Å
• b: 19.2977 ± 0.0009 Å
• c: 11.0438 ± 0.0006 Å
• α: 90°
• β: 107.107 ± 0.006°
• γ: 90°
• Cell volume: 1710.86 ± 0.17 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No