Information card for entry 7135281

Structure parameters

• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• Title of publication: Chromium-catalyzed reductive alkylation of N heteroarenes using alkyl formates as transfer hydroalkylation reagents
• Authors of publication: Pal, Anit; Borah, Asish; Das, Animesh
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 5.5367 ± 0.0003 Å
• b: 7.7309 ± 0.0004 Å
• c: 29.9149 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1280.47 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No