Information card for entry 4130011

Structure parameters

• Formula: C140 H182 N10 O18 Si4
• Calculated formula: C140 H182 N10 O18 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: 8.16795 ± 0.00014 Å
• b: 17.8145 ± 0.0003 Å
• c: 23.4233 ± 0.0004 Å
• α: 79.0943 ± 0.0015°
• β: 89.6706 ± 0.0014°
• γ: 77.4838 ± 0.0015°
• Cell volume: 3264.98 ± 0.1 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0824
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No