Information card for entry 7060847

Structure parameters

• Formula: C22 H23 N4 O6 S
• Calculated formula: C22 H23 N4 O6 S
• Title of publication: A sequential Ugi‒Smiles/transition-metal-free endo-dig Conia‒ene cyclization: the selective synthesis of saccharin substituted 2,5-dihydropyrroles
• Authors of publication: Seyrani, Hassan; Ramezanpour, Sorour; Vaezghaemi, Aref; Kobarfard, Farzad
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 15647 - 15654
• a: 27.896 ± 0.006 Å
• b: 7.6894 ± 0.0015 Å
• c: 22.958 ± 0.005 Å
• α: 90°
• β: 90.39°
• γ: 90°
• Cell volume: 4924.5 ± 1.8 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No