Information card for entry 4134125

Structure parameters

• Formula: C98 H98 Cl6
• Calculated formula: C98 H98 Cl6
• 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: 18.4244 ± 0.0005 Å
• b: 10.1229 ± 0.0002 Å
• c: 42.563 ± 0.001 Å
• α: 90°
• β: 99.643 ± 0.002°
• γ: 90°
• Cell volume: 7826.2 ± 0.3 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1845
• Residual factor for significantly intense reflections: 0.1406
• Weighted residual factors for significantly intense reflections: 0.3849
• Weighted residual factors for all reflections included in the refinement: 0.4208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.421
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No