Information card for entry 1503266

Structure parameters

• Formula: C20 H17 Cl O6
• Calculated formula: C20 H17 Cl O6
• SMILES: Clc1ccc(cc1)C1=C([C@](c2c(O1)cc(cc2)OC)(C(=O)OCC)O)C=O
• Title of publication: "One-pot" access to 4H-chromenes with formation of a chiral quaternary stereogenic center by a highly enantioselective iminium-allenamine involved oxa-Michael-aldol cascade.
• Authors of publication: Liu, Chunliang; Zhang, Xinshuai; Wang, Rui; Wang, Wei
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 4948 - 4951
• a: 7.8779 ± 0.0009 Å
• b: 11.7191 ± 0.0014 Å
• c: 20.476 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1890.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0462
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No