Information card for entry 1547007

Structure parameters

• Formula: C13 H22 O4
• Calculated formula: C13 H22 O4
• Title of publication: Diastereoselective Synthesis of Diquinanes and Triquinanes Bearing Vicinal Quaternary Carbon Stereocenters from Acyclic Allene-based Precursors via a Cascade Reaction.
• Authors of publication: Li, Shuang; Zhang, Pengpeng; Li, Yuanhe; Lu, Shumin; Gong, Jianxian; Yang, Zhen
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4416 - 4419
• a: 9.8273 ± 0.0009 Å
• b: 11.3792 ± 0.0011 Å
• c: 11.6772 ± 0.0011 Å
• α: 75.657 ± 0.005°
• β: 86.929 ± 0.005°
• γ: 87.177 ± 0.004°
• Cell volume: 1262.4 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No