Information card for entry 4024430

Structure parameters

• Formula: C10 H14 O4
• Calculated formula: C10 H14 O4
• SMILES: O1C(=O)C[C@H]2O[C@]3(O[C@H](CC3)C)C[C@@H]12
• Title of publication: Pd(II)-Mediated Alkynediol Spiroketalization: First Total Synthesis of (-)-Cephalosporolide E and (+)-Cephalosporolide F
• Authors of publication: C. V. Ramana; Sharad B. Suryawanshi; Rajesh G. Gonnade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2842 - 2845
• a: 10.036 ± 0.005 Å
• b: 9.173 ± 0.004 Å
• c: 10.955 ± 0.005 Å
• α: 90°
• β: 90.174 ± 0.008°
• γ: 90°
• Cell volume: 1008.6 ± 0.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0442
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No