Information card for entry 1555990

Structure parameters

• Formula: C47 H50 N2 O5 S Si
• Calculated formula: C47 H50 N2 O5 S Si
• SMILES: [C@H]12[C@H]3CC(=C)[C@H]([C@@]1(CCN3C(=O)OCc1ccccc1)c1c(N2S(=O)(=O)c2ccc(cc2)C)cccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[C@@H]12[C@@H]3CC(=C)[C@@H]([C@]1(CCN3C(=O)OCc1ccccc1)c1c(N2S(=O)(=O)c2ccc(cc2)C)cccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: An Iminium Ion Cascade Annulation Strategy for the Synthesis of Akuammiline Alkaloid Pentacyclic Core Structures.
• Authors of publication: Andreansky, Eric S.; Blakey, Simon B.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 6492 - 6495
• a: 16.0823 ± 0.0017 Å
• b: 18.0956 ± 0.0019 Å
• c: 28.619 ± 0.003 Å
• α: 90°
• β: 97.4057 ± 0.0016°
• γ: 90°
• Cell volume: 8259.2 ± 1.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No