Information card for entry 7159778

Structure parameters

• Formula: C20 H16 O4
• Calculated formula: C20 H16 O4
• Title of publication: Decarboxylative [3 + 2] cycloaddition of propargyl cyclic carbonates with <i>C</i>,<i>O</i>-bis(nucleophile)s to access dihydrofuro[3,2-<i>c</i>]coumarins and dihydronaphtho[1,2-<i>b</i>]furans with quaternary center.
• Authors of publication: Battula, Shravani; Kothuri, Pranay; Bhumannagari, Haripriya; Nayani, Kiranmai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 1671 - 1675
• a: 9.7289 ± 0.0007 Å
• b: 11.5281 ± 0.0009 Å
• c: 13.9318 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1562.5 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No