Information card for entry 7156962

Structure parameters

• Formula: C19 H15 Br N2 O
• Calculated formula: C19 H15 Br N2 O
• 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: 11.5956 ± 0.0017 Å
• b: 5.0269 ± 0.0007 Å
• c: 33 ± 0.005 Å
• α: 90°
• β: 92.159 ± 0.004°
• γ: 90°
• Cell volume: 1922.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No