Information card for entry 4130779

Structure parameters

• Formula: C19 H28 O3
• Calculated formula: C19 H28 O3
• SMILES: O([C@@]12OC[C@]3([C@H](O)C(C)(CC=C3)C)[C@@]31C=C([C@H](C2)CC3)C)C.O([C@]12OC[C@@]3([C@@H](O)C(C)(CC=C3)C)[C@]31C=C([C@@H](C2)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: 10.3974 ± 0.0008 Å
• b: 12.7181 ± 0.0009 Å
• c: 13.2489 ± 0.001 Å
• α: 90°
• β: 112.175 ± 0.002°
• γ: 90°
• Cell volume: 1622.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No