Information card for entry 7129331

Structure parameters

• Formula: C25 H22 N2 O
• Calculated formula: C25 H22 N2 O
• SMILES: O=C1c2c(nc(c3cccnc3)cc2)C(=C1C1CCCCC1)c1ccccc1
• Title of publication: Tandem vinyl radical Minisci-type annulation on pyridines: one-pot expeditious access to azaindenones
• Authors of publication: Xia, Dong; Duan, Xin-Fang
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 22.1929 ± 0.0004 Å
• b: 12.0792 ± 0.0003 Å
• c: 7.0699 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1895.25 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No