Information card for entry 1547300

Structure parameters

• Formula: C18 H28 O3 Si
• Calculated formula: C18 H28 O3 Si
• SMILES: O=C1CC[C@H]2[C@@]31CC(=O)[C@@](C2)(C(=C)C3)O[Si](C)(C)C(C)(C)C.O=C1CC[C@@H]2[C@]31CC(=O)[C@](C2)(C(=C)C3)O[Si](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: 19.273 ± 0.007 Å
• b: 7.63 ± 0.003 Å
• c: 12.384 ± 0.005 Å
• α: 90°
• β: 100.001 ± 0.01°
• γ: 90°
• Cell volume: 1793.4 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No