Information card for entry 4027152

Structure parameters

• Formula: C18 H21 Cl O3
• Calculated formula: C18 H21 Cl O3
• Title of publication: Enantioselective Synthesis of 3,4-Dihydropyran Derivatives via Organocatalytic Michael Reaction of α,β-Unsaturated Enones
• Authors of publication: Yangbin Liu; Xiaohua Liu; Min Wang; Peng He; Lili Lin; Xiaoming Feng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 4136 - 4142
• a: 9.4223 ± 0.0004 Å
• b: 12.535 ± 0.0007 Å
• c: 14.9465 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1765.31 ± 0.16 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No