Information card for entry 7101942

Structure parameters

• Formula: C17 H12 Cl F O3
• Calculated formula: C17 H12 Cl F O3
• SMILES: Clc1ccc([C@H]2[C@](F)(C(=O)c3c2cccc3)C(=O)OC)cc1.Clc1ccc([C@@H]2[C@@](F)(C(=O)c3c2cccc3)C(=O)OC)cc1
• Title of publication: Stereoselective construction of fluorinated indanone derivatives via a triple cascade Lewis acid-catalyzed reaction.
• Authors of publication: Cui, Han-Feng; Dong, Ke-Yan; Zhang, Guang-Wu; Wang, Lian; Ma, Jun-An
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 22
• Pages of publication: 2284 - 2286
• a: 17.213 ± 0.004 Å
• b: 8.458 ± 0.002 Å
• c: 10.468 ± 0.002 Å
• α: 90°
• β: 96.925 ± 0.004°
• γ: 90°
• Cell volume: 1512.9 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No