Information card for entry 4127341

Structure parameters

• Formula: C30 H54 O5 Si2
• Calculated formula: C30 H54 O5 Si2
• SMILES: [Si](OC[C@@H]1[C@@](COCc2ccccc2)(C(=O)O)CCC[C@]1(C)CO[Si](C)(C)C(C)(C)C)(C)(C)C(C)(C)C.[Si](OC[C@H]1[C@](COCc2ccccc2)(C(=O)O)CCC[C@@]1(C)CO[Si](C)(C)C(C)(C)C)(C)(C)C(C)(C)C
• Title of publication: Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.
• Authors of publication: Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 20
• Pages of publication: 8372 - 8380
• a: 7.4362 ± 0.0002 Å
• b: 42.8598 ± 0.0011 Å
• c: 10.2836 ± 0.0003 Å
• α: 90°
• β: 91.457 ± 0.002°
• γ: 90°
• Cell volume: 3276.47 ± 0.15 ų
• Cell temperature: 180.1 ± 0.3 K
• Ambient diffraction temperature: 180.1 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No