Information card for entry 4034804

Structure parameters

• Formula: C101 H122 Cl2 O2 Si2
• Calculated formula: C101.001 H122.002 Cl2.002 O2 Si2
• Title of publication: Synthesis and Electronic Properties of Length-Defined 9,10-Anthrylene-Butadiynylene Oligomers.
• Authors of publication: Nagaoka, Maiko; Tsurumaki, Eiji; Nishiuchi, Mai; Iwanaga, Tetsuo; Toyota, Shinji
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 10
• Pages of publication: 5784 - 5790
• a: 13.0957 ± 0.0004 Å
• b: 19.0281 ± 0.0007 Å
• c: 19.8599 ± 0.0006 Å
• α: 68.022 ± 0.003°
• β: 88.534 ± 0.003°
• γ: 87.009 ± 0.003°
• Cell volume: 4582.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1564
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2599
• Weighted residual factors for all reflections included in the refinement: 0.3037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No