Information card for entry 7047072

Structure parameters

• Formula: C31 H24 O4
• Calculated formula: C31 H24 O4
• Title of publication: A Cu(ii) metallocycle for the reversible self-assembly of coordination-driven polyrotaxane-like architectures.
• Authors of publication: Truccolo, Giada; Tessari, Zeno; Tessarolo, Jacopo; Quici, Silvio; Armelao, Lidia; Rancan, Marzio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 12079 - 12084
• a: 11.7464 ± 0.0012 Å
• b: 5.2568 ± 0.0003 Å
• c: 19.2835 ± 0.0013 Å
• α: 90°
• β: 98.15 ± 0.008°
• γ: 90°
• Cell volume: 1178.7 ± 0.16 ų
• Cell temperature: 296.6 ± 0.3 K
• Ambient diffraction temperature: 296.6 ± 0.3 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No