Information card for entry 7157464

Structure parameters

• Chemical name: (4Z)-2,4-diphenyl-8,9-dihydrocycloocta[b]furan-6(7H)-one
• Formula: C22 H18 O2
• Calculated formula: C22 H18 O2
• Title of publication: A base-promoted tandem approach to bicyclic 8-membered ring ketones.
• Authors of publication: Dos Santos, Emerson E. F.; de Souza, Gabriela F. P.; Simoni, Deborah A.; Salles, Jr, Airton G
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 3249 - 3253
• a: 8.6541 ± 0.0005 Å
• b: 5.7809 ± 0.0003 Å
• c: 33.543 ± 0.002 Å
• α: 90°
• β: 97.281 ± 0.004°
• γ: 90°
• Cell volume: 1664.57 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No