Information card for entry 4132448

Structure parameters

• Formula: C29 H56 O3 Si2
• Calculated formula: C29 H56 O3 Si2
• SMILES: [Si](OC[C@]1([C@@H]2CC[C@H]3CCC(=O)[C@@]3([C@]2(CC[C@@H]1O[Si](C)(C)C(C)(C)C)C)C)C)(C)(C)C(C)(C)C
• Title of publication: Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.
• Authors of publication: Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 30
• Pages of publication: 9502 - 9511
• a: 7.0926 ± 0.0003 Å
• b: 10.7908 ± 0.0004 Å
• c: 20.6337 ± 0.0009 Å
• α: 90°
• β: 96.016 ± 0.002°
• γ: 90°
• Cell volume: 1570.5 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No