Information card for entry 1560234

Structure parameters

• Common name: 6cpp@12cpp
• Formula: C55 H38 Cl2
• Calculated formula: C55 H38 Cl2
• Title of publication: Construction of a double-walled carbon nanoring.
• Authors of publication: Zhao, Chong; Liu, Fupin; Feng, Lai; Nie, Mingzhe; Lu, Yuxi; Zhang, Jie; Wang, Chunru; Wang, Taishan
• Journal of publication: Nanoscale
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 4880 - 4886
• a: 6.2639 ± 0.0006 Å
• b: 22.294 ± 0.002 Å
• c: 30.28 ± 0.004 Å
• α: 90°
• β: 95.509 ± 0.01°
• γ: 90°
• Cell volume: 4209 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.3507
• Residual factor for significantly intense reflections: 0.1876
• Weighted residual factors for significantly intense reflections: 0.3752
• Weighted residual factors for all reflections included in the refinement: 0.462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No