Information card for entry 4134137

Structure parameters

• Formula: C407.65 H443.3 Cl1.3 N24 O67
• Calculated formula: C407.65 H443.3 Cl1.3 N24 O67
• Title of publication: Aromatic Nanosandwich Obtained by σ-Dimerization of a Nanographenoid π-Radical.
• Authors of publication: Moshniaha, Liliia; Żyła-Karwowska, Marika; Chmielewski, Piotr J.; Lis, Tadeusz; Cybinska, Joanna; Gońka, Elżbieta; Oschwald, Johannes; Drewello, Thomas; Medina Rivero, Samara; Casado, Juan; Stępień, Marcin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 38.946 ± 0.019 Å
• b: 22.898 ± 0.004 Å
• c: 46.386 ± 0.009 Å
• α: 90°
• β: 103.52 ± 0.03°
• γ: 90°
• Cell volume: 40220 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3053
• Residual factor for significantly intense reflections: 0.1414
• Weighted residual factors for significantly intense reflections: 0.3047
• Weighted residual factors for all reflections included in the refinement: 0.4219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No