Information card for entry 4027746

Structure parameters

• Formula: C40 H48 O2 Si4
• Calculated formula: C40 H48 O2 Si4
• Title of publication: Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene
• Authors of publication: Bharat Kumar; Benjamin T. King
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 10617 - 10622
• a: 10.4606 ± 0.0013 Å
• b: 12.1928 ± 0.0016 Å
• c: 16.305 ± 0.002 Å
• α: 90°
• β: 85.78 ± 0.002°
• γ: 90°
• Cell volume: 2074 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.2397
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2479
• Weighted residual factors for all reflections included in the refinement: 0.3198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No