Information card for entry 7251384

Structure parameters

• Formula: C62 H58 Cu F6 N4 O8 P
• Calculated formula: C62 H58 Cu F6 N4 O8 P
• Title of publication: Rotaxane synthesis via a dynamic [2]catenane-ring-opening, axle-cleaving double cross metathesis
• Authors of publication: Cetin, M. Mustafa; Mazumdar, Arindam; Cordes, David B.; Fidan, Vahap Gazi; Yang, Zhen; Mayer, Michael F.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 55
• Pages of publication: 47117 - 47127
• a: 14.7809 ± 0.0014 Å
• b: 14.8375 ± 0.0016 Å
• c: 15.4905 ± 0.0018 Å
• α: 115.129 ± 0.011°
• β: 114.546 ± 0.01°
• γ: 92.324 ± 0.008°
• Cell volume: 2698.9 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1699
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No