Information card for entry 7157465

Structure parameters

• Formula: C26 H22 N4 O2 S
• Calculated formula: C26 H22 N4 O2 S
• SMILES: S(=O)(=O)(c1ccc(C)cc1)N1N=C(N2c3c(n4c(ccc4)C12)cccc3)c1ccc(cc1)C
• Title of publication: KI/TBHP-promoted [3 + 2] cycloaddition of pyrrolo[1,2-a]quinoxalines and N-arylsulfonylhydrazones.
• Authors of publication: Yang, Zhen; He, Jing; Wei, Yueting; Li, Weiwei; Liu, Ping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 3360 - 3366
• a: 11.5618 ± 0.0005 Å
• b: 20.0595 ± 0.001 Å
• c: 20.7439 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4811 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2486
• Weighted residual factors for all reflections included in the refinement: 0.2593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No