Information card for entry 7115302

Structure parameters

• Formula: C17 H24 O6
• Calculated formula: C17 H24 O6
• SMILES: O1[C@H]2C(C[C@@H]1CC[C@]12CC(CC1=O)(C)C)(C(=O)OC)C(=O)OC.O1[C@@H]2C(C[C@H]1CC[C@@]12CC(CC1=O)(C)C)(C(=O)OC)C(=O)OC
• Title of publication: Construction of fused- and spiro-oxa-[n.2.1] skeletons by a tandem epoxide rearrangement/intramolecular [3+2] cycloaddition of cyclopropanes with carbonyls
• Authors of publication: Lu-Feng Wang; Zi-Fa Shi; Xiao-Ping Cao; Bao-Sheng Li; Peng An
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8061
• a: 12.9911 ± 0.0009 Å
• b: 10.5635 ± 0.0005 Å
• c: 12.5742 ± 0.0008 Å
• α: 90°
• β: 105.22 ± 0.006°
• γ: 90°
• Cell volume: 1665.05 ± 0.18 ų
• Cell temperature: 294.73 ± 0.1 K
• Ambient diffraction temperature: 294.73 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No