Information card for entry 4037959

Structure parameters

• Formula: C19 H15 N O4
• Calculated formula: C19 H15 N O4
• SMILES: O1c2nc(OCC)c3c(c2c2ccccc2C1)c1OCOc1cc3
• Title of publication: Synthesis of Highly Fused Pyrano[2,3-b]pyridines via Rh(III)-Catalyzed C-H Activation and Intramolecular Cascade Annulation under Room Temperature.
• Authors of publication: Han, Xu; Gao, Feng; Li, Chunpu; Fang, Daqing; Xie, Xiong; Zhou, Yu; Liu, Hong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 14.42 ± 0.0017 Å
• b: 19.703 ± 0.002 Å
• c: 10.3796 ± 0.0012 Å
• α: 90°
• β: 90.12 ± 0.05°
• γ: 90°
• Cell volume: 2949 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No