Information card for entry 4130776

Structure parameters

• Common name: RR12-lactone
• Formula: C319 H24 O3
• Calculated formula: C19 H24 O3
• SMILES: O1[C@@]23[C@]4(C=C(C)[C@H](CC4)C2)[C@@]2(C=CCC([C@@H]12)(C)C)COC3=O.O1[C@@H]2[C@@]3([C@]45CC[C@H](C(=C4)C)C[C@]15C(=O)OC3)C=CCC2(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: 11.1643 ± 0.0006 Å
• b: 11.8846 ± 0.0006 Å
• c: 12.7007 ± 0.0007 Å
• α: 75.011 ± 0.003°
• β: 76.716 ± 0.003°
• γ: 89.935 ± 0.003°
• Cell volume: 1581.23 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2421
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No