Information card for entry 4033992

Structure parameters

• Formula: C21 H34 O4 Si
• Calculated formula: C21 H34 O4 Si
• SMILES: [Si](OC[C@]12[C@H]3C(=O)[C@@H]([C@H]([C@@]13CC=C)C[C@@H]2C(=O)OC)C)(C)(C)C(C)(C)C.[Si](OC[C@@]12[C@@H]3C(=O)[C@H]([C@@H]([C@]13CC=C)C[C@H]2C(=O)OC)C)(C)(C)C(C)(C)C
• Title of publication: Formal Synthesis of (±)-Pentalenolactone A Methyl Ester.
• Authors of publication: Niu, Guang-Hao; Liu, Pin-Heng; Hung, Wei-Chun; Tseng, Ping-Yao; Chuang, Gary Jing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 16
• Pages of publication: 10172 - 10182
• a: 11.8826 ± 0.0002 Å
• b: 14.0278 ± 0.0002 Å
• c: 14.7882 ± 0.0003 Å
• α: 67.8036 ± 0.0008°
• β: 70.5153 ± 0.0008°
• γ: 77.3415 ± 0.001°
• Cell volume: 2139.34 ± 0.07 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No