Information card for entry 4134232

Structure parameters

• Common name: JU833_150K
• Formula: C108.88 H67.5 Cl0.5 O0.75
• Calculated formula: C108.875 H67.5 Cl0.5 O0.75
• Title of publication: Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold.
• Authors of publication: Urieta-Mora, Javier; Krug, Marcel; Alex, Wiebke; Perles, Josefina; Fernandez, Israel; Molina-Ontoria, Agustín; Guldi, Dirk M.; Martín, Nazario
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 20.3136 ± 0.0016 Å
• b: 23.489 ± 0.002 Å
• c: 27.759 ± 0.003 Å
• α: 93.006 ± 0.005°
• β: 96.297 ± 0.005°
• γ: 104.808 ± 0.005°
• Cell volume: 12683 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.411
• Residual factor for significantly intense reflections: 0.2896
• Weighted residual factors for significantly intense reflections: 0.6505
• Weighted residual factors for all reflections included in the refinement: 0.7188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No