Information card for entry 1558178

Structure parameters

• Formula: C74 H84 O19
• Calculated formula: C74.0001 H84 O19
• 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: 31.0383 ± 0.0008 Å
• b: 31.0383 ± 0.0008 Å
• c: 11.8708 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9903.9 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2302
• Residual factor for significantly intense reflections: 0.1465
• Weighted residual factors for significantly intense reflections: 0.41
• Weighted residual factors for all reflections included in the refinement: 0.452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.51
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No