Information card for entry 7101943

Structure parameters

• Formula: C17 H13 Cl O3
• Calculated formula: C17 H13 Cl O3
• SMILES: Cl[C@]1([C@H](c2ccccc2)c2ccccc2C1=O)C(=O)OC.Cl[C@@]1([C@@H](c2ccccc2)c2ccccc2C1=O)C(=O)OC
• 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: 16.228 ± 0.004 Å
• b: 8.599 ± 0.002 Å
• c: 10.594 ± 0.003 Å
• α: 90°
• β: 98.122 ± 0.005°
• γ: 90°
• Cell volume: 1463.5 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0998
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No