Information card for entry 1557394

Structure parameters

• Chemical name: 3-([1,1'-biphenyl]-4-yl)dihydrofuran-2(3H)-one
• Formula: C16 H14 O2
• Calculated formula: C16 H14 O2
• SMILES: O=C1OCC[C@H]1c1ccc(cc1)c1ccccc1
• Title of publication: Intra- and intermolecular Fe-catalyzed dicarbofunctionalization of vinyl cyclopropanes
• Authors of publication: Liu, Lei; Lee, Wes; Yuan, Mingbin; Acha, Chris; Geherty, Michael B.; Williams, Brandon; Gutierrez, Osvaldo
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 3146 - 3151
• a: 6.2309 ± 0.0007 Å
• b: 7.4169 ± 0.0008 Å
• c: 13.0054 ± 0.0015 Å
• α: 90°
• β: 90.1686 ± 0.0018°
• γ: 90°
• Cell volume: 601.03 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No