Information card for entry 4130009

Structure parameters

• Formula: C140 H158 N10 O4 Si4
• Calculated formula: C140 H158 N10 O4 Si4
• Title of publication: Coronene-Containing N-Heteroarenes: 13 Rings in a Row.
• Authors of publication: Endres, Alexander H.; Schaffroth, Manuel; Paulus, Fabian; Reiss, Hilmar; Wadepohl, Hubert; Rominger, Frank; Krämer, Roland; Bunz, Uwe H. F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 6
• Pages of publication: 1792 - 1795
• a: 10.949 ± 0.003 Å
• b: 14.788 ± 0.004 Å
• c: 19.821 ± 0.005 Å
• α: 96.298 ± 0.006°
• β: 93.114 ± 0.006°
• γ: 100.111 ± 0.007°
• Cell volume: 3131.5 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2401
• Residual factor for significantly intense reflections: 0.1219
• Weighted residual factors for significantly intense reflections: 0.2765
• Weighted residual factors for all reflections included in the refinement: 0.3418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No