Information card for entry 4024562

Structure parameters

• Formula: C19 H19 Cl O2
• Calculated formula: C19 H19 Cl O2
• SMILES: Clc1ccc(C2=C(CC3=CC(=O)CC3)C(CO2)C(=C)C)cc1
• Title of publication: Unexpected Pd-Catalyzed Coupling, Propargyl-Allenyl Isomerization and Alder-Ene Reaction: Facile Synthesis of Some Not Readily Available 2,3-Dihydrofuran Derivatives
• Authors of publication: Ruwei Shen; Shugao Zhu; Xian Huang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 4118 - 4123
• a: 31.869 ± 0.005 Å
• b: 36.63 ± 0.006 Å
• c: 5.7018 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6656 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No