Information card for entry 7127132

Structure parameters

• Formula: C52 H34 O4 Si2
• Calculated formula: C52 H34 O4 Si2
• Title of publication: Increasing and dispersing strain in pyrene-fused azaacenes.
• Authors of publication: Mateos-Martín, Javier; Carini, Marco; Melle-Franco, Manuel; Mateo-Alonso, Aurelio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 77
• Pages of publication: 11457 - 11460
• a: 14.4193 ± 0.0009 Å
• b: 15.3229 ± 0.0007 Å
• c: 18.272 ± 0.0006 Å
• α: 90°
• β: 93.967 ± 0.004°
• γ: 90°
• Cell volume: 4027.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No