Information card for entry 1553815

Structure parameters

• Formula: C23 H23 Cl O7
• Calculated formula: C23 H23 Cl O7
• SMILES: Clc1ccccc1C#C[C@]12C(=O)CC[C@H]1C(C[C@@H]2CC(=O)OC)(C(=O)OC)C(=O)OC
• Title of publication: The asymmetric synthesis of multisubstituted diquinanes via the domino reaction of electron-deficient enynes
• Authors of publication: Yao, Qian; Lin, Lili; Zhang, Hang; Yu, Han; Xiong, Qian; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 2012
• a: 6.82668 ± 0.00015 Å
• b: 9.4989 ± 0.0002 Å
• c: 34.5079 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2237.7 ± 0.09 ų
• Cell temperature: 293.49 ± 0.15 K
• Ambient diffraction temperature: 293.49 ± 0.15 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: 0.0575
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No