Information card for entry 7158170

Structure parameters

• Formula: C40 H33 Br N4 O
• Calculated formula: C40 H33 Br N4 O
• Title of publication: Diastereoselective synthesis of indolenine-based spiro[pyrazolone-4,2'-pyrrolidine] scaffolds via 1,3-dipolar cycloaddition of 4-aminopyrazolones, aldehydes, and indolenines.
• Authors of publication: Nawaz, Shah; Wei, Shiqiang; Huang, Yue; Wang, Wenyao; Qu, Jingping; Wang, Baomin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 32
• Pages of publication: 6964 - 6968
• a: 12.2987 ± 0.0007 Å
• b: 12.4224 ± 0.0007 Å
• c: 13.2018 ± 0.0008 Å
• α: 75.801 ± 0.002°
• β: 69.663 ± 0.002°
• γ: 66.425 ± 0.001°
• Cell volume: 1720.08 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No