Information card for entry 7161024

Structure parameters

• Formula: C50 H44 N2 O4
• Calculated formula: C50 H44 N2 O4
• Title of publication: Three-component tandem benzyl-C(sp³)-H functionalization <i>via</i> thermally generated arynes with phenazine.
• Authors of publication: Zhang, Yajuan; Chai, Fuxiang; Hu, Qiong; Chang, Meng; Qiang, Ruihua; Hu, Yimin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1231 - 1236
• a: 12.7014 ± 0.0009 Å
• b: 12.8424 ± 0.0008 Å
• c: 14.1011 ± 0.001 Å
• α: 106.295 ± 0.002°
• β: 108.766 ± 0.002°
• γ: 92.511 ± 0.002°
• Cell volume: 2067.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.1195
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No