Information card for entry 1558179

Structure parameters

• Formula: C201 H174 Cl6
• Calculated formula: C201 H174 Cl6
• 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: 46.422 ± 0.004 Å
• b: 7.7267 ± 0.0006 Å
• c: 46.356 ± 0.004 Å
• α: 90°
• β: 109.884 ± 0.01°
• γ: 90°
• Cell volume: 15636 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.4275
• Residual factor for significantly intense reflections: 0.1677
• Weighted residual factors for significantly intense reflections: 0.3823
• Weighted residual factors for all reflections included in the refinement: 0.4979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No