Information card for entry 4125310

Structure parameters

• Common name: XG-I-41
• Chemical name: maimone74
• Formula: C28 H48 O4 Si
• Calculated formula: C28 H48 O4 Si
• SMILES: [C@@H]1(C([C@H]2CC[C@@]3([C@@]4(CC(=O)CC(=O)[C@@]4(C[C@H]3[C@@]2(CC1)C)C)O)C)(C)C)O[Si](C)(C)C(C)(C)C.[C@H]1(C([C@@H]2CC[C@]3([C@]4(CC(=O)CC(=O)[C@]4(C[C@@H]3[C@]2(CC1)C)C)O)C)(C)C)O[Si](C)(C)C(C)(C)C
• Title of publication: Annulative Methods Enable a Total Synthesis of the Complex Meroterpene Berkeleyone A.
• Authors of publication: Ting, Chi P.; Xu, Gong; Zeng, Xianhuang; Maimone, Thomas J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 45
• Pages of publication: 14868 - 14871
• a: 19.372 ± 0.0012 Å
• b: 7.4505 ± 0.0005 Å
• c: 19.2839 ± 0.0011 Å
• α: 90°
• β: 99.679 ± 0.002°
• γ: 90°
• Cell volume: 2743.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No