Information card for entry 1502876

Structure parameters

• Formula: C46 H70 O8 Si2
• Calculated formula: C46 H70 O8 Si2
• SMILES: O1[C@@H]2[C@H](OC1(C)C)[C@@H]1[C@@H](O)[C@@H](O)[C@H]2c2c1c(C#C[Si](C(C)C)(C(C)C)C(C)C)c1c(c2C#C[Si](C(C)C)(C(C)C)C(C)C)[C@H]2[C@H]([C@H]([C@@H]1[C@H]1[C@@H]2OC(C)(C)O1)O)O
• 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: 12.7591 ± 0.0007 Å
• b: 13.1605 ± 0.0007 Å
• c: 14.769 ± 0.0007 Å
• α: 70.182 ± 0.002°
• β: 76.378 ± 0.002°
• γ: 74.595 ± 0.003°
• Cell volume: 2220.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No