Information card for entry 1506516

Structure parameters

• Formula: C14 H22 O2
• Calculated formula: C14 H22 O2
• SMILES: [C@@H]12[C@H]3CC[C@@](C1)(CC(=O)[C@@H]2COC3(C)C)C.[C@H]12[C@@H]3CC[C@](C1)(CC(=O)[C@H]2COC3(C)C)C
• Title of publication: Expedient construction of the vibsanin E core without the use of protecting groups.
• Authors of publication: Heim, Ralf; Wiedemann, Stefan; Williams, Craig M.; Bernhardt, Paul V.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1327 - 1329
• a: 19.569 ± 0.003 Å
• b: 9.6463 ± 0.0008 Å
• c: 15.091 ± 0.003 Å
• α: 90°
• β: 116.71 ± 0.02°
• γ: 90°
• Cell volume: 2544.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1992
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No