Information card for entry 1547104

Structure parameters

• Formula: C19 H26 Cl O3.5
• Calculated formula: C19 H26 Cl O3.5
• Title of publication: Construction of Distant Stereocenters by Enantioselective Desymmetrizing Carbonyl-Ene Reaction.
• Authors of publication: Luo, Weiwei; Lin, Lili; Zhang, Yu; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3374 - 3377
• a: 18.6435 ± 0.0007 Å
• b: 6.1999 ± 0.0002 Å
• c: 15.8122 ± 0.0006 Å
• α: 90°
• β: 90.137 ± 0.003°
• γ: 90°
• Cell volume: 1827.69 ± 0.11 ų
• Cell temperature: 290.64 ± 0.1 K
• Ambient diffraction temperature: 290.64 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No