Information card for entry 4105832

Structure parameters

• Formula: C63 H51.25 B4.75
• Calculated formula: C63 H51.25 B4.75
• Title of publication: Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene
• Authors of publication: Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4596 - 4609
• a: 12.8597 ± 0.0007 Å
• b: 13.1616 ± 0.0007 Å
• c: 14.4382 ± 0.0008 Å
• α: 84.743 ± 0.002°
• β: 78.404 ± 0.001°
• γ: 78.524 ± 0.001°
• Cell volume: 2342.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No