Information card for entry 4133426

Structure parameters

• Common name: q07jf128_200K
• Formula: C76 H64 O
• Calculated formula: C76 H64 O
• Title of publication: π-Extended Corannulene-Based Nanographenes: Selective Formation of Negative Curvature.
• Authors of publication: Fernández-García, Jesús M; Evans, Paul J.; Medina Rivero, Samara; Fernández, Israel; García-Fresnadillo, David; Perles, Josefina; Casado, Juan; Martín, Nazario
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 49
• Pages of publication: 17188 - 17196
• a: 17.139 ± 0.002 Å
• b: 17.0795 ± 0.0018 Å
• c: 20.123 ± 0.002 Å
• α: 90°
• β: 98.862 ± 0.005°
• γ: 90°
• Cell volume: 5820.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.4528
• Residual factor for significantly intense reflections: 0.1804
• Weighted residual factors for significantly intense reflections: 0.3883
• Weighted residual factors for all reflections included in the refinement: 0.5311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No