Information card for entry 1504656

Structure parameters

• Formula: C38 H59 Br O3 Si
• Calculated formula: C38 H59 Br O3 Si
• SMILES: Brc1cc2c(cc1)[C@@]1([C@@H](CC2)[C@]([C@H](CC1)[C@H](c1ccccc1)O[C@@H](C)C[C@H](C)O)(C)CO[Si](C(C)C)(C(C)C)C(C)C)C
• Title of publication: Asymmetric total synthesis of antiochic acid.
• Authors of publication: Zhao, Yu-Jun; Loh, Teck-Peng
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 2143 - 2145
• a: 7.9587 ± 0.0008 Å
• b: 11.5873 ± 0.0013 Å
• c: 40.157 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3703.3 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No