Information card for entry 4134790

Structure parameters

• Formula: C134 H110 F48 N12 O2 P8
• Calculated formula: C134 H110 F48 N12 O2 P8
• Title of publication: Cyclophane-Sustained Ultrastable Porphyrins.
• Authors of publication: Liu, Wenqi; Lin, Chenjian; Weber, Jacob Andrew; Stern, Charlotte L.; Young, Ryan M.; Wasielewski, Michael R.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 14.66878 ± 0.00016 Å
• b: 17.5021 ± 0.0002 Å
• c: 19.14358 ± 0.00019 Å
• α: 108.97 ± 0.001°
• β: 106.693 ± 0.001°
• γ: 102.297 ± 0.001°
• Cell volume: 4189.71 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No