Information card for entry 7135975

Structure parameters

• Formula: C16 H22 N2 O
• Calculated formula: C16 H22 N2 O
• Title of publication: Decarboxylative Alkylation of Unactivated Olefins via Photoinduced Fe-LMCT: Access to Alkylated Dihydropyrazoles/Tetrahydropyridazines
• Authors of publication: Garg, Anjali; Kumar, Raman; Kaur, Manpreet; Sharma, Anuj
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 5.913 ± 0.002 Å
• b: 11.952 ± 0.004 Å
• c: 19.728 ± 0.006 Å
• α: 90°
• β: 94.761 ± 0.01°
• γ: 90°
• Cell volume: 1389.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No