Information card for entry 7156961

Structure parameters

• Formula: C20 H14 N2 O3
• Calculated formula: C20 H14 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: 11.542 ± 0.004 Å
• b: 12.009 ± 0.004 Å
• c: 14.738 ± 0.005 Å
• α: 100.009 ± 0.011°
• β: 105.015 ± 0.01°
• γ: 117.02 ± 0.01°
• Cell volume: 1653.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1601
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.293
• Weighted residual factors for all reflections included in the refinement: 0.3322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No