Information card for entry 7157844

Structure parameters

• Formula: C29 H24 N2 O4 S
• Calculated formula: C29 H24 N2 O4 S
• Title of publication: (4 + 2) cyclization of aza-<i>o</i>-quinone methides with azlactones: construction of biologically important dihydroquinolinone frameworks.
• Authors of publication: Wang, Hai-Qing; Ma, Wenjing; Sun, Ao; Sun, Xin-Yue; Jiang, Chao; Zhang, Yu-Chen; Shi, Feng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 1334 - 1343
• a: 8.3267 ± 0.0018 Å
• b: 8.7156 ± 0.0019 Å
• c: 16.902 ± 0.004 Å
• α: 97.684 ± 0.003°
• β: 91.3 ± 0.002°
• γ: 94.942 ± 0.002°
• Cell volume: 1210.4 ± 0.5 ų
• Cell temperature: 182 ± 2 K
• Ambient diffraction temperature: 181.65 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No