Information card for entry 4110922

Structure parameters

• Formula: C40 H52 O3 Si2
• Calculated formula: C40 H52 O3 Si2
• SMILES: O1C(=O)[C@@H]2[C@@H]3c4ccccc4[C@@H](c4c(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)c34)[C@@H]2C1=O
• Title of publication: Conjugated Polymers in an Arene Sandwich
• Authors of publication: Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12426 - 12427
• a: 19.7499 ± 0.0009 Å
• b: 9.2408 ± 0.0005 Å
• c: 21.8961 ± 0.001 Å
• α: 90°
• β: 110.569 ± 0.002°
• γ: 90°
• Cell volume: 3741.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No