Information card for entry 7157363

Structure parameters

• Formula: C65 H54 N2 O17
• Calculated formula: C65 H54 N2 O17
• 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: 9.7417 ± 0.0004 Å
• b: 11.8403 ± 0.0005 Å
• c: 11.9923 ± 0.0005 Å
• α: 96.716 ± 0.003°
• β: 99.839 ± 0.003°
• γ: 94.798 ± 0.003°
• Cell volume: 1345.94 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2376
• Weighted residual factors for all reflections included in the refinement: 0.2558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No