Information card for entry 7132390

Structure parameters

• Formula: C19 H17 N2 O3
• Calculated formula: C20 H19 N O4
• SMILES: O=C1C(C(Nc2ccc(cc2)C)C(=O)OCC)=COc2c1cccc2
• Title of publication: Visible-light-enabled cascade cross-dehydrogenative-coupling/cyclization to construct α-chromone substituted α-amino acid derivatives.
• Authors of publication: Zhu, Zhi-Qiang; Hu, Jia-Yu; Xie, Zong-Bo; Le, Zhang-Gao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 60
• Journal issue: 1
• Pages of publication: 106 - 109
• a: 11.6169 ± 0.0004 Å
• b: 15.6243 ± 0.0006 Å
• c: 23.3222 ± 0.0012 Å
• α: 90°
• β: 94.169 ± 0.004°
• γ: 90°
• Cell volume: 4221.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.3166
• Weighted residual factors for all reflections included in the refinement: 0.332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No