Information card for entry 4035432

Structure parameters

• Formula: C19 H29 I O3 Si
• Calculated formula: C19 H29 I O3 Si
• SMILES: I[C@]12C(=C([Si](C)(C)C)C(=O)[C@](C[C@H](C1(C)C)CC=C)(C2=O)C)OC.I[C@@]12C(=C([Si](C)(C)C)C(=O)[C@@](C[C@@H](C1(C)C)CC=C)(C2=O)C)OC
• Title of publication: Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.
• Authors of publication: Bellavance, Gabriel; Barriault, Louis
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 13
• Pages of publication: 7215 - 7230
• a: 8.8592 ± 0.0002 Å
• b: 11.6523 ± 0.0003 Å
• c: 20.1519 ± 0.0005 Å
• α: 90°
• β: 94.419 ± 0.001°
• γ: 90°
• Cell volume: 2074.1 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No