Information card for entry 7105900

Structure parameters

• Formula: C33 H29 N O4
• Calculated formula: C33 H29 N O4
• Title of publication: Phosphine-catalyzed Highly Diastereoselective [3+2] Cyclization of Isatin Derived Electron-deficient Alkenes with -Allenic Esters
• Authors of publication: Xiu-Chun Zhang; Shu-Hua Cao; Yin Wei; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1548
• a: 7.5777 ± 0.0009 Å
• b: 12.4273 ± 0.0015 Å
• c: 14.6322 ± 0.0018 Å
• α: 81.787 ± 0.002°
• β: 77.39 ± 0.002°
• γ: 80.671 ± 0.002°
• Cell volume: 1318.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No