Information card for entry 4032860

Structure parameters

• Common name: YWS-267-2
• Formula: C17 H18 N2 O3
• Calculated formula: C17 H18 N2 O3
• SMILES: C1=CCC(c2n1c(c(c1ccccc1)n2)C(=O)OCC)OC
• Title of publication: Synthesis of Imidazopyridines via Copper-Catalyzed, Formal Aza-[3 + 2] Cycloaddition Reaction of Pyridine Derivatives with α-Diazo Oxime Ethers.
• Authors of publication: Park, Sangjune; Kim, Hyunseok; Son, Jeong-Yu; Um, Kyusik; Lee, Sooho; Baek, Yonghyeon; Seo, Boram; Lee, Phil Ho
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 10209 - 10218
• a: 6.85883 ± 0.00014 Å
• b: 8.78905 ± 0.00014 Å
• c: 13.309 ± 0.0002 Å
• α: 98.1952 ± 0.0012°
• β: 100.839 ± 0.001°
• γ: 92.0569 ± 0.0007°
• Cell volume: 778.32 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1088
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No