Information card for entry 7156963

Structure parameters

• Formula: C20 H16 N2 O3
• Calculated formula: C20 H16 N2 O3
• Title of publication: Direct synthesis of highly functionalized furans from donor-acceptor cyclopropanes via DBU-mediated ring expansion reactions.
• Authors of publication: Su, Zhenjie; Xie, Zengyang; Wang, Shan; Luo, Naili; Wang, Cunde
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 31
• Pages of publication: 7342 - 7351
• a: 9.8735 ± 0.001 Å
• b: 11.1925 ± 0.0013 Å
• c: 16.3751 ± 0.0018 Å
• α: 104.559 ± 0.003°
• β: 102.943 ± 0.003°
• γ: 102.875 ± 0.003°
• Cell volume: 1630.5 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1062
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No