Information card for entry 7129972

Structure parameters

• Formula: C32 H34 N4 O8
• Calculated formula: C32 H35 N4 O8
• Title of publication: Catalytic asymmetric [3 + 2] cycloaddition of pyrazolone-derived MBH carbonate: highly stereoselective construction of the bispiro-[pyrazolone-dihydropyrrole-oxindole] skeleton.
• Authors of publication: Tian, Zhou; Jiang, Jing; Yan, Zhen-Hui; Luo, Qing-Qing; Zhan, Gu; Huang, Wei; Li, Xiang; Han, Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 35
• Pages of publication: 5363 - 5366
• a: 9.4403 ± 0.0009 Å
• b: 12.498 ± 0.0011 Å
• c: 27.612 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3257.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No