Information card for entry 7134169

Structure parameters

• Formula: C76.79 H81.59 Cl2.59 N5 O16
• Calculated formula: C76.794 H81.588 Cl2.588 N5 O16
• Title of publication: A photoswitchable [2]catenane receptor.
• Authors of publication: de Jong, Jorn; Siegler, Maxime A.; Wezenberg, Sander J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 12
• Pages of publication: 2548 - 2551
• a: 14.9514 ± 0.0004 Å
• b: 16.3606 ± 0.0007 Å
• c: 17.5556 ± 0.0007 Å
• α: 80.287 ± 0.003°
• β: 65.353 ± 0.003°
• γ: 69.019 ± 0.003°
• Cell volume: 3643.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No