Information card for entry 1572861

Structure parameters

• Formula: C156 H188
• Calculated formula: C156 H188
• Title of publication: Pentacosacyclenes: Cruciform Molecular Nanocarbons Based on Cyclooctatetraene
• Authors of publication: Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 21.398 ± 0.003 Å
• b: 21.398 ± 0.003 Å
• c: 53.967 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24710 ± 8 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 2
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1883
• Residual factor for significantly intense reflections: 0.1132
• Weighted residual factors for significantly intense reflections: 0.2734
• Weighted residual factors for all reflections included in the refinement: 0.2976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.614
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No