Information card for entry 7160334

Structure parameters

• Formula: C18 H17 N O4
• Calculated formula: C18 H17 N O4
• Title of publication: DBU-catalyzed annulation strategy for modular assembly of 2,3-difunctionalized dihydrobenzofurans.
• Authors of publication: Yuan, Lili; Wang, Jie; Tang, Qiang; Wang, Yiping; Ma, Beibei; Shang, Yongjia; He, Xinwei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 8
• Pages of publication: 1832 - 1836
• a: 26.44 ± 0.002 Å
• b: 7.9493 ± 0.0007 Å
• c: 15.9676 ± 0.0013 Å
• α: 90°
• β: 107.736 ± 0.001°
• γ: 90°
• Cell volume: 3196.5 ± 0.5 ų
• Cell temperature: 293.15 ± 0.1 K
• Ambient diffraction temperature: 293.15 ± 0.1 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: 0.0584
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No