Information card for entry 7127134

Structure parameters

• Formula: C230 H308 N8 Si36
• Calculated formula: C230 H308 N8 Si36
• 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: 22.1092 ± 0.0012 Å
• b: 22.318 ± 0.0013 Å
• c: 29.0414 ± 0.0013 Å
• α: 74.547 ± 0.004°
• β: 79.773 ± 0.004°
• γ: 71.053 ± 0.005°
• Cell volume: 12998.3 ± 1.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2193
• Residual factor for significantly intense reflections: 0.1286
• Weighted residual factors for significantly intense reflections: 0.3079
• Weighted residual factors for all reflections included in the refinement: 0.4078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No