Information card for entry 1558180

Structure parameters

• Formula: C142.5 H106 O2
• Calculated formula: C142.5 H106 O2
• Title of publication: Synthesis of Cycloiptycenes from Carbon Nanobelt
• Authors of publication: Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 11.0799 ± 0.0009 Å
• b: 15.4092 ± 0.0015 Å
• c: 16.833 ± 0.002 Å
• α: 111.731 ± 0.01°
• β: 95.979 ± 0.008°
• γ: 99.11 ± 0.007°
• Cell volume: 2594.2 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3183
• Residual factor for significantly intense reflections: 0.1177
• Weighted residual factors for significantly intense reflections: 0.2859
• Weighted residual factors for all reflections included in the refinement: 0.3871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No