Information card for entry 4033304

Structure parameters

• Formula: C21 H20 F N O4
• Calculated formula: C21 H20 F N O4
• SMILES: Fc1cc2c(nc(c3ccccc23)[C@@H]2O[C@@H]3OC(O[C@@H]3[C@H]2OC)(C)C)cc1
• Title of publication: Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K₂S₂O₈-Mediated Oxidative Radical Decarboxylation of Uronic Acids.
• Authors of publication: Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 2
• Pages of publication: 588 - 603
• a: 12.8117 ± 0.0006 Å
• b: 5.5768 ± 0.0003 Å
• c: 12.9121 ± 0.0006 Å
• α: 90°
• β: 103.001 ± 0.002°
• γ: 90°
• Cell volume: 898.9 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No