Information card for entry 1547301

Structure parameters

• Formula: C21 H32 O3 Si
• Calculated formula: C21 H32 O3 Si
• SMILES: [Si](O[C@]12[C@H]3[C@@]4(C(=O)CCC[C@@H]4[C@H](CC3)C1=O)CC2=C)(C)(C)C(C)(C)C.[Si](O[C@@]12[C@@H]3[C@]4(C(=O)CCC[C@H]4[C@@H](CC3)C1=O)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: 7.3119 ± 0.0005 Å
• b: 11.552 ± 0.0009 Å
• c: 12.6325 ± 0.001 Å
• α: 104.854 ± 0.0024°
• β: 97.6124 ± 0.0022°
• γ: 94.5246 ± 0.0023°
• Cell volume: 1015.17 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No