Information card for entry 7125099

Structure parameters

• Formula: C15 H24 O3
• Calculated formula: C15 H24 O3
• Title of publication: A chiral pool approach for asymmetric syntheses of (-)-antrocin, (+)-asperolide C, and (-)-trans-ozic acid.
• Authors of publication: Li, Fu-Zhuo; Li, Shuang; Zhang, Peng-Peng; Huang, Zhi-Hui; Zhang, Wei-Bin; Gong, Jianxian; Yang, Zhen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 84
• Pages of publication: 12426 - 12429
• a: 9.9792 ± 0.0001 Å
• b: 6.6848 ± 0.0001 Å
• c: 10.2099 ± 0.0007 Å
• α: 90°
• β: 96.735 ± 0.007°
• γ: 90°
• Cell volume: 676.39 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No