Information card for entry 4133427

Structure parameters

• Common name: jf130_200K
• Formula: C78 H61 Cl3.5 O1.5
• Calculated formula: C78 H61 Cl3.5 O1.5
• 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: 12.7107 ± 0.0005 Å
• b: 16.888 ± 0.0007 Å
• c: 17.1768 ± 0.0008 Å
• α: 93.094 ± 0.002°
• β: 100.081 ± 0.002°
• γ: 107.113 ± 0.002°
• Cell volume: 3447.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.2383
• Residual factor for significantly intense reflections: 0.1801
• Weighted residual factors for significantly intense reflections: 0.501
• Weighted residual factors for all reflections included in the refinement: 0.552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No