Information card for entry 1546210

Structure parameters

• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: O1[C@@H]2[C@@H]3CC(=O)[C@H]1[C@@H]1C(=O)CC[C@]21[C@H](C)CCC3.O1[C@H]2[C@H]3CC(=O)[C@@H]1[C@H]1C(=O)CC[C@@]21[C@@H](C)CCC3
• Title of publication: Toward the Total Synthesis of Eurifoloid A.
• Authors of publication: Liu, Xin; Liu, Junyang; Zhao, Jing; Li, Shaoping; Li, Chuang-Chuang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2742 - 2745
• a: 9.198 ± 0.006 Å
• b: 9.442 ± 0.004 Å
• c: 15.292 ± 0.007 Å
• α: 90°
• β: 104.995 ± 0.01°
• γ: 90°
• Cell volume: 1282.8 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No