Information card for entry 1506719

Structure parameters

• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: C1(=O)[C@H]2[C@H]3C[C@@](C1)(CC[C@H]3[C@](CC2)(C)OC)C.C1(=O)[C@@H]2[C@@H]3C[C@](C1)(CC[C@@H]3[C@@](CC2)(C)OC)C
• Title of publication: Construction of the cyclovibsanin core via a biogenetically modeled approach.
• Authors of publication: Tilly, David P.; Williams, Craig M.; Bernhardt, Paul V.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 23
• Pages of publication: 5155 - 5157
• a: 11.611 ± 0.002 Å
• b: 10.747 ± 0.002 Å
• c: 20.951 ± 0.002 Å
• α: 90°
• β: 94.44 ± 0.01°
• γ: 90°
• Cell volume: 2606.5 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 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: 0.1787
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No