Information card for entry 4134120

Structure parameters

• Formula: C67.53 H61.29 Cl3.64
• Calculated formula: C67.557 H61.294 Cl3.647
• Title of publication: Hydrocarbon Belts with Truncated Cone Structures.
• Authors of publication: Zhang, Qian; Zhang, Yan-E; Tong, Shuo; Wang, Mei-Xiang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 3
• Pages of publication: 1196 - 1199
• a: 33.0129 ± 0.0012 Å
• b: 14.4043 ± 0.0005 Å
• c: 25.2944 ± 0.001 Å
• α: 90°
• β: 112.475 ± 0.004°
• γ: 90°
• Cell volume: 11114.6 ± 0.8 ų
• Cell temperature: 100.2 ± 0.9 K
• Ambient diffraction temperature: 100.2 ± 0.9 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: 0.1453
• Residual factor for significantly intense reflections: 0.1151
• Weighted residual factors for significantly intense reflections: 0.3206
• Weighted residual factors for all reflections included in the refinement: 0.3593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No