Information card for entry 1502873

Structure parameters

• Formula: C46 H66 O4 Si2
• Calculated formula: C46 H66 O4 Si2
• SMILES: [Si](C#Cc1c2c([C@H]3[C@@H]4OC(O[C@@H]4[C@@H]2C=C3)(C)C)c(c2c1[C@@H]1[C@H]3OC(O[C@H]3[C@H]2C=C1)(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)(C(C)C)C(C)C
• Title of publication: Rigid hydrophilic structures for improved properties of conjugated polymers and nitrotyrosine sensing in water.
• Authors of publication: VanVeller, Brett; Miki, Koji; Swager, Timothy M.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1292 - 1295
• a: 13.6286 ± 0.0004 Å
• b: 10.5494 ± 0.0003 Å
• c: 16.1848 ± 0.0005 Å
• α: 90°
• β: 104.647 ± 0.001°
• γ: 90°
• Cell volume: 2251.33 ± 0.12 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No