Information card for entry 7122905

Structure parameters

• Formula: C19 H20 O3
• Calculated formula: C19 H20 O3
• Title of publication: Lewis Acid-Catalyzed Annulative Partial Dimerization of 3-Aryloxyacrylates to 4-Arylchroman-2-ones: Synthesis of Analogues of Tolterodine, RORγ Inhibitor and a GPR40 Agonist
• Authors of publication: Fernandes, Rodney Agustinho; Kunkalkar, Rupesh A.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 25.6777 ± 0.001 Å
• b: 15.169 ± 0.006 Å
• c: 8.027 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3126.6 ± 1.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No