Information card for entry 7135641

Structure parameters

• Formula: C27 H21 N3
• Calculated formula: C27 H21 N3
• Title of publication: Organocatalytic Asymmetric [3 + 3] Annulation Reaction Between 5-Aminopyrazoles and Enynones: Synthesis of Pyrazolo[3,4-b]pyridines
• Authors of publication: Pan, Subhas Chandra; Sahoo, Dipali Digangana
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 10.9402 ± 0.0007 Å
• b: 8.5319 ± 0.0005 Å
• c: 11.4283 ± 0.0007 Å
• α: 90°
• β: 97.701 ± 0.002°
• γ: 90°
• Cell volume: 1057.1 ± 0.11 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No