Information card for entry 7135683

Structure parameters

• Formula: C22 H19.54 N O
• Calculated formula: C22 H19.54 N O
• 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: 8.8979 ± 0.0004 Å
• b: 9.689 ± 0.0005 Å
• c: 10.6306 ± 0.0005 Å
• α: 97.87 ± 0.002°
• β: 91.598 ± 0.002°
• γ: 111.305 ± 0.002°
• Cell volume: 842.81 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No