Information card for entry 7156669

Structure parameters

• Formula: C58 H78.5 N6 O20.25
• Calculated formula: C58 H78 N6 O20.25
• Title of publication: Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.
• Authors of publication: Lewis, James E. M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2442 - 2447
• a: 13.3255 ± 0.0006 Å
• b: 13.5278 ± 0.0006 Å
• c: 17.7443 ± 0.0008 Å
• α: 90.033 ± 0.003°
• β: 100.915 ± 0.004°
• γ: 105.148 ± 0.004°
• Cell volume: 3027.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0729
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No