Information card for entry 7157362

Structure parameters

• Formula: C70 H70 N2 O23
• Calculated formula: C70 H70 N2 O23
• 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: 13.2399 ± 0.0005 Å
• b: 15.4494 ± 0.0006 Å
• c: 15.6625 ± 0.0006 Å
• α: 80.635 ± 0.002°
• β: 85.048 ± 0.002°
• γ: 74.885 ± 0.002°
• Cell volume: 3048.4 ± 0.2 ų
• Cell temperature: 99.98 K
• Ambient diffraction temperature: 99.98 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: 0.0656
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No