Information card for entry 7129539

Structure parameters

• Formula: C25 H20 N2 O3
• Calculated formula: C25 H20 N2 O3
• Title of publication: Diastereoselective access to [4,4]-carbospirocycles: governance of thermodynamic enolates with organocatalyst in vinylogous cascade annulation
• Authors of publication: Bhajammanavar, Vinod; Mallik, Sumitava; Choutipalli, Venkata Surya Kumar; Subramanian, Venkatesan; Baidya, Mahiuddin
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.5635 ± 0.0006 Å
• b: 6.7073 ± 0.0003 Å
• c: 15.8118 ± 0.0008 Å
• α: 90°
• β: 90.829 ± 0.003°
• γ: 90°
• Cell volume: 1014.15 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No