Information card for entry 7124394

Structure parameters

• Formula: C24 H25 N3 O4
• Calculated formula: C24 H25 N3 O4
• Title of publication: Phosphine-Catalyzed (3+2)/(2+3) Sequential Annulation by Triple Nucleophilic Addition Reaction of γ-Vinyl Allenoates
• Authors of publication: Huang, You; Feng, Jiaxu
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.8382 ± 0.0009 Å
• b: 15.3232 ± 0.001 Å
• c: 11.6575 ± 0.0009 Å
• α: 90°
• β: 98.841 ± 0.007°
• γ: 90°
• Cell volume: 2089.5 ± 0.3 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No