Information card for entry 7157364

Structure parameters

• Formula: C262 H220 Cl4 N8 O64
• Calculated formula: C262 H220 Cl4 N8 O64
• Title of publication: Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.
• Authors of publication: Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 1900 - 1909
• a: 15.4706 ± 0.0003 Å
• b: 42.34 ± 0.0009 Å
• c: 19.1101 ± 0.0004 Å
• α: 90°
• β: 105.106 ± 0.001°
• γ: 90°
• Cell volume: 12085.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.3002
• Weighted residual factors for all reflections included in the refinement: 0.3468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No