Information card for entry 7156668

Structure parameters

• Formula: C58 H64 Cl2 N4 O12
• Calculated formula: C58 H64 Cl2 N4 O12
• 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: 8.9724 ± 0.0003 Å
• b: 17.884 ± 0.0007 Å
• c: 18.7581 ± 0.0007 Å
• α: 71.649 ± 0.004°
• β: 78.938 ± 0.003°
• γ: 75.953 ± 0.003°
• Cell volume: 2749.6 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No