Information card for entry 7161140

Structure parameters

• Chemical name: Photon
• Formula: C16 H20 Cl N3 O2
• Calculated formula: C16 H20 Cl N3 O2
• Title of publication: Co(II) mediated cascade cyclization of unactivated olefin to afford N-alkylacetamided tetrahydropyridazine and dihydropyrazole
• Authors of publication: Thakur, Arunabha; Sau, Subham
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 14.0322 ± 0.0015 Å
• b: 80.394 ± 0.008 Å
• c: 5.8039 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6547.4 ± 1.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No