Information card for entry 7160581

Structure parameters

• Formula: C17 H24 N2 O2
• Calculated formula: C17 H24 N2 O2
• Title of publication: Catalyst-free microwave-assisted azo-Povarov reaction of <i>N</i>-carbonyl aryldiazenes with <i>trans</i>-cyclooctene to access ring-fused cinnoline derivatives.
• Authors of publication: Jiménez-Aberásturi, Xabier; Padrones, Gurutze; Vicario, Javier; de Los Santos, Jesús M
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 6200 - 6208
• a: 5.78458 ± 0.00012 Å
• b: 7.85285 ± 0.00014 Å
• c: 17.1515 ± 0.0002 Å
• α: 93.0396 ± 0.0013°
• β: 94.1142 ± 0.0014°
• γ: 101.494 ± 0.0016°
• Cell volume: 759.71 ± 0.02 ų
• Cell temperature: 181 ± 16 K
• Ambient diffraction temperature: 181 ± 16 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: 0.0473
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No