Information card for entry 7158281

Structure parameters

• Chemical name: GSCBS5_265
• Formula: C34 H36 O2
• Calculated formula: C34 H36 O2
• Title of publication: [Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.
• Authors of publication: Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 38
• Pages of publication: 8259 - 8263
• a: 4.787 ± 0.007 Å
• b: 13.87 ± 0.02 Å
• c: 21.66 ± 0.02 Å
• α: 72.77 ± 0.05°
• β: 90°
• γ: 90°
• Cell volume: 1374 ± 3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.5151
• Residual factor for significantly intense reflections: 0.1342
• Weighted residual factors for significantly intense reflections: 0.2736
• Weighted residual factors for all reflections included in the refinement: 0.5038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No