Information card for entry 7251385

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: 16.7265 ± 0.0008 Å
• b: 7.8498 ± 0.0004 Å
• c: 43.035 ± 0.002 Å
• α: 90°
• β: 96.345 ± 0.005°
• γ: 90°
• Cell volume: 5615.9 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1679
• Residual factor for significantly intense reflections: 0.1472
• Weighted residual factors for significantly intense reflections: 0.3117
• Weighted residual factors for all reflections included in the refinement: 0.3205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No