Information card for entry 1547304

Structure parameters

• Formula: C19 H30 O3 Si
• Calculated formula: C19 H30 O3 Si
• SMILES: [Si](O[C@]12C(=O)C[C@@]3(C(=O)CCC[C@@H]3C1)CC2=C)(C)(C)C(C)(C)C.[Si](O[C@@]12C(=O)C[C@]3(C(=O)CCC[C@H]3C1)CC2=C)(C)(C)C(C)(C)C
• Title of publication: Tunable Cyclization Strategy for the Synthesis of Zizaene-, allo-Cedrane-, seco-Kaurane-, and seco-Atesane-Type Skeletons.
• Authors of publication: Yang, Qianqian; Ma, Wenjing; Wang, Gaopeng; Bao, Wenli; Dong, Xiaoshu; Liang, Xuefeng; Zhu, Lizhi; Lee, Chi-Sing
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5324 - 5327
• a: 7.2951 ± 0.0003 Å
• b: 25.7751 ± 0.001 Å
• c: 10.621 ± 0.0005 Å
• α: 90°
• β: 95.7546 ± 0.0029°
• γ: 90°
• Cell volume: 1987.02 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No