Information card for entry 4104580

Structure parameters

• Formula: C54 H68 B2 Cl4 O12 S4 Si2
• Calculated formula: C54 H68 B2 Cl4 O12 S4 Si2
• Title of publication: Conjugated Polymer Sensors Built on π-Extended Borasiloxane Cages
• Authors of publication: Wenjun Liu; Maren Pink; Dongwhan Lee
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8703 - 8707
• a: 38.156 ± 0.008 Å
• b: 11.041 ± 0.002 Å
• c: 14.632 ± 0.003 Å
• α: 90°
• β: 93.186 ± 0.003°
• γ: 90°
• Cell volume: 6155 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No