Information card for entry 7124358

Structure parameters

• Formula: C23 H24 O5
• Calculated formula: C23 H24 O5
• Title of publication: Asymmetric Synthesis of Cyclopentanones through Dual Lewis Acid-Catalysed [3 + 2]-Cycloaddition of Donor-Acceptor Cyclopropanes with Ketenes
• Authors of publication: Mondal, Mukulesh; Panda, Manashi; Davis, Nicholas; McKee, Vickie; Kerrigan, Nessan Joseph
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.80314 ± 0.00004 Å
• b: 12.83574 ± 0.00007 Å
• c: 22.67729 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1980.26 ± 0.019 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 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: 0.0251
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No