Information card for entry 7134982

Structure parameters

• Chemical name: Disila-hexaarene
• Formula: C46 H52 Si2
• Calculated formula: C46 H52 Si2
• Title of publication: The role of main group elements in shaping the properties of linearly-fused heterohexaarenes.
• Authors of publication: Espineira-Gutierrez, Adrian; Caro-Noakes, Ines; Zhang, Min; Mas-Torrent, Marta; Regulska, Elzbieta; Romero-Nieto, Carlos
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 80
• Pages of publication: 15590 - 15593
• a: 9.869 ± 0.006 Å
• b: 12.442 ± 0.007 Å
• c: 32.249 ± 0.019 Å
• α: 82.407 ± 0.01°
• β: 81.941 ± 0.01°
• γ: 74.764 ± 0.008°
• Cell volume: 3764 ± 4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1791
• Residual factor for significantly intense reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.2711
• Weighted residual factors for all reflections included in the refinement: 0.3603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No