Information card for entry 7133480

Structure parameters

• Formula: C31 H22 N4 O2
• Calculated formula: C31 H22 N4 O2
• 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: 18.947 ± 0.003 Å
• b: 16.244 ± 0.003 Å
• c: 15.993 ± 0.003 Å
• α: 90°
• β: 104.238 ± 0.002°
• γ: 90°
• Cell volume: 4771 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No