Information card for entry 4130783

Structure parameters

• Formula: C18 H26 O3
• Calculated formula: C18 H26 O3
• SMILES: O=C1C(CCC=C1[C@]1(O)CC[C@@H]2C[C@@]1(OC)CC2=C)(C)C.O=C1C(CCC=C1[C@@]1(O)CC[C@H]2C[C@]1(OC)CC2=C)(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: 14.6942 ± 0.0018 Å
• b: 9.3324 ± 0.0009 Å
• c: 11.6047 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1591.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No