Information card for entry 4035436

Structure parameters

• Formula: C22 H40 O3 Si2
• Calculated formula: C22 H40 O3 Si2
• SMILES: [Si](C1=C(OC)[C@H]2C([C@@H](C[C@@](C1=O)([C@@H]2O[Si](C)(C)C)C)CC=C)(C)C)(C)(C)C.[Si](C1=C(OC)[C@@H]2C([C@H](C[C@](C1=O)([C@H]2O[Si](C)(C)C)C)CC=C)(C)C)(C)(C)C
• 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: 19.3123 ± 0.0006 Å
• b: 11.7684 ± 0.0004 Å
• c: 10.9877 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2497.23 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No