Information card for entry 2217633

Structure parameters

• Chemical name: 4-Butyl-3-(3,5-dimethoxyphenyl)-4-methoxy-2-(triisopropylsilyl)cyclopent-2-enone
• Formula: C27 H44 O4 Si
• Calculated formula: C27 H44 O4 Si
• SMILES: [Si](C1=C(C(OC)(CC1=O)CCCC)c1cc(OC)cc(OC)c1)(C(C)C)(C(C)C)C(C)C
• Title of publication: 4-Butyl-3-(3,5-dimethoxyphenyl)-4-methoxy-2-(triisopropylsilyl)cyclopent-2-enone
• Authors of publication: Zhenyu Zhao; Yunhui Zhang; Xinghua Jin; Xinjian Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o516 - o516
• a: 39.294 ± 0.004 Å
• b: 8.3327 ± 0.001 Å
• c: 29.274 ± 0.003 Å
• α: 90°
• β: 146.207 ± 0.008°
• γ: 90°
• Cell volume: 5331.1 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes