Information card for entry 4128962

Structure parameters

• Formula: C24 H24 Br2 O2
• Calculated formula: C24 H24 Br2 O2
• Title of publication: Catalytic Enantioselective Synthesis of Cyclobutenes from Alkynes and Alkenyl Derivatives.
• Authors of publication: Parsutkar, Mahesh M.; Pagar, Vinayak Vishnu; RajanBabu, T. V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 38
• Pages of publication: 15367 - 15377
• a: 11.3708 ± 0.0006 Å
• b: 4.6026 ± 0.0002 Å
• c: 20.5978 ± 0.001 Å
• α: 90°
• β: 94.029 ± 0.002°
• γ: 90°
• Cell volume: 1075.33 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No