Information card for entry 4026274

Structure parameters

• Formula: C16 H26 O3
• Calculated formula: C16 H26 O3
• SMILES: O=C1O[C@@]2(CC[C@H]3C(CCC[C@@]3([C@H]2[C@@H]1O)C)(C)C)C
• Title of publication: Exploiting the Facile Release of Trifluoroacetate for the α-Methylenation of the Sterically Hindered Carbonyl Groups on (+)-Sclareolide and (-)-Eburnamonine
• Authors of publication: Mark V. Riofski; Jinu P. John; Mary M. Zheng; Julia Kirshner; David A. Colby
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3676 - 3683
• a: 8.3742 ± 0.0002 Å
• b: 12.4885 ± 0.0002 Å
• c: 27.9806 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2926.24 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No