Information card for entry 7135682

Structure parameters

• Formula: C21 H18 N2 O2
• Calculated formula: C21 H18 N2 O2
• Title of publication: Free-amine-directed Ru(II)-catalyzed peri-selective C-H activation and annulation via ring-strain release
• Authors of publication: Mondal, Sudeshna; Behura, Prabhudatta; Baidya, Mahiuddin
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 5.4675 ± 0.0013 Å
• b: 13.06 ± 0.003 Å
• c: 23.252 ± 0.006 Å
• α: 90°
• β: 95.515 ± 0.004°
• γ: 90°
• Cell volume: 1652.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No