Information card for entry 4130772

Structure parameters

• Formula: C19 H28 O3
• Calculated formula: C19 H28 O3
• SMILES: O[C@@H]1C(CC=C[C@]21[C@]13[C@@](OC2)(OC)C[C@H](C(=C1)C)CC3)(C)C
• Title of publication: 11-Step Total Synthesis of (-)-Maoecrystal V.
• Authors of publication: Cernijenko, Artiom; Risgaard, Rune; Baran, Phil S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 30
• Pages of publication: 9425 - 9428
• a: 8.6715 ± 0.0003 Å
• b: 10.3828 ± 0.0004 Å
• c: 9.4244 ± 0.0004 Å
• α: 90°
• β: 100.887 ± 0.002°
• γ: 90°
• Cell volume: 833.25 ± 0.06 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 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: 0.0319
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No