Information card for entry 4118918

Structure parameters

• Formula: C107 H119 O2
• Calculated formula: C107 H119 O2
• Title of publication: Carbon-Bridged Oligo(phenylenevinylene)s: Stable π-Systems with High Responsiveness to Doping and Excitation
• Authors of publication: Xiaozhang Zhu; Hayato Tsuji; Juan T. López Navarrete; Juan Casado; Eiichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 19254 - 19259
• a: 14.9058 ± 0.0003 Å
• b: 15.048 ± 0.0003 Å
• c: 38.4984 ± 0.0007 Å
• α: 90°
• β: 93.6286 ± 0.0008°
• γ: 90°
• Cell volume: 8618 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.157
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No