Information card for entry 1547303

Structure parameters

• Formula: C18 H28 O4 Si
• Calculated formula: C18 H28 O4 Si
• SMILES: O=C1CC[C@@H]2CC(=O)[C@]3(O[Si](C)(C)C(C)(C)C)C[C@]12[C@H](O)C3=C.O=C1CC[C@H]2CC(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C[C@@]12[C@@H](O)C3=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: 19.8426 ± 0.0011 Å
• b: 7.7701 ± 0.0004 Å
• c: 12.1168 ± 0.0007 Å
• α: 90°
• β: 91.8138 ± 0.0018°
• γ: 90°
• Cell volume: 1867.22 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0634
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No