Information card for entry 4028713

Structure parameters

• Formula: C35 H56 O5 Si2
• Calculated formula: C35 H56 O5 Si2
• SMILES: [Si](OC[C@H]1O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)CC=C)(C)(C)C(C)(C)C
• Title of publication: Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues
• Authors of publication: Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 10784 - 10801
• a: 8.785 ± 0.0003 Å
• b: 10.6361 ± 0.0004 Å
• c: 38.731 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3619 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No