Information card for entry 4086506

Structure parameters

• Formula: C19 H28 O3 Si
• Calculated formula: C19 H28 O3 Si
• SMILES: [Si](/C=C/1OC(=O)c2c1cccc2OC)(C(C)C)(C(C)C)C(C)C
• Title of publication: Rhodium-Catalyzed Oxidative Coupling of Benzoic Acids with Terminal Alkynes: An Efficient Access to 3-Ylidenephthalides
• Authors of publication: Liu, Yang; Yang, Yudong; Shi, Yang; Wang, Xiaojie; Zhang, Luoqiang; Cheng, Yangyang; You, Jingsong
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1350
• a: 13.2951 ± 0.0004 Å
• b: 14.1131 ± 0.0004 Å
• c: 20.4113 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3829.88 ± 0.18 ų
• Cell temperature: 290.6 ± 0.4 K
• Ambient diffraction temperature: 290.6 ± 0.4 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No