Information card for entry 7152655

Structure parameters

• Formula: C18 H20 Cl N O8
• Calculated formula: C18 H20 Cl N O8
• SMILES: Clc1c([C@H]2[C@](ON(=O)=C2[C@H](O)C(=O)OCC)(C(=O)OCC)C(=O)C)cccc1
• Title of publication: Asymmetric catalytic [4 + 1] annulations catalyzed by quinidine: enantioselective synthesis of multi-functionalized isoxazoline N-oxides.
• Authors of publication: Guo, Zhi-Wei; Xie, Jian-Wu; Chen, Ce; Zhu, Wei-Dong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 42
• Pages of publication: 8471 - 8477
• a: 9.7433 ± 0.0003 Å
• b: 11.3443 ± 0.0004 Å
• c: 18.273 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2019.73 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No