Information card for entry 7124393

Structure parameters

• Formula: C25 H26 Cl3 N3 O4
• Calculated formula: C25 H26 Cl3 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: 10.74 ± 0.002 Å
• b: 22.857 ± 0.005 Å
• c: 10.909 ± 0.002 Å
• α: 90°
• β: 104.54 ± 0.03°
• γ: 90°
• Cell volume: 2592.2 ± 1 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No