Information card for entry 1553219

Structure parameters

• Formula: C20 H28 O2 Si
• Calculated formula: C20 H28 O2 Si
• SMILES: [Si](OCc1cc2C3=C(CCCC3)C(=O)c2cc1)(C)(C)C(C)(C)C
• Title of publication: A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures
• Authors of publication: Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 354
• a: 7.5687 ± 0.0005 Å
• b: 30.831 ± 0.002 Å
• c: 8.0907 ± 0.0006 Å
• α: 90°
• β: 90.916 ± 0.002°
• γ: 90°
• Cell volume: 1887.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No