Information card for entry 7133481

Structure parameters

• Formula: C32 H26 F N4 O3 S
• Calculated formula: C32 H26 F N4 O3 S
• Title of publication: Divergent synthesis of pyrrolidone fused pyrimido[1,2-<i>b</i>]indazole through selective trapping of an enone intermediate by 1<i>H</i>-indazol-3-amine.
• Authors of publication: Shen, Xi; Yu, Zhi-Cheng; Zhou, You; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 72
• Pages of publication: 9781 - 9784
• a: 12.761 ± 0.002 Å
• b: 11.663 ± 0.002 Å
• c: 19.57 ± 0.003 Å
• α: 90°
• β: 107.371 ± 0.003°
• γ: 90°
• Cell volume: 2779.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No