Information card for entry 4129742

Structure parameters

• Common name: (HexO)MEindBr
• Formula: C30 H49 Br O
• Calculated formula: C30 H49 Br O
• SMILES: O(c1c2c(c(Br)c3c1C(CC3(CC)CC)(C)C)C(CC2(C)C)(CC)CC)CCCCCC
• Title of publication: Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks.
• Authors of publication: Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 47
• Pages of publication: 15026 - 15035
• a: 25.656 ± 0.005 Å
• b: 11.2439 ± 0.0018 Å
• c: 21.551 ± 0.004 Å
• α: 90°
• β: 116.916 ± 0.0019°
• γ: 90°
• Cell volume: 5543.4 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No