Information card for entry 7123582

Structure parameters

• Chemical name: (2R,4aR,9bR)-4a-methyl-2-((E)-styryl)-3,4,4a,9b-tetrahydro-2H-pyrano[3,2-b]benzofuran
• Formula: C20 H20 O2
• Calculated formula: C20 H20 O2
• Title of publication: Synthesis of bicyclic ethers by a palladium-catalyzed oxidative cyclization-redox relay-π-allyl-Pd cyclization cascade reaction.
• Authors of publication: Lux, Michaelyn C.; Boby, Melissa L.; Brooks, Joshua L.; Tan, Derek S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• a: 16.7276 ± 0.0007 Å
• b: 5.4692 ± 0.0002 Å
• c: 17.8067 ± 0.0008 Å
• α: 90°
• β: 103.573 ± 0.002°
• γ: 90°
• Cell volume: 1583.58 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No