Information card for entry 4134789

Structure parameters

• Formula: C140 H120 F48 N12 O4 P8 Zn
• Calculated formula: C140 H120 F48 N12 O4 P8 Zn
• 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: 14.6658 ± 0.0016 Å
• b: 17.54 ± 0.002 Å
• c: 19.039 ± 0.0019 Å
• α: 108.894 ± 0.008°
• β: 106.654 ± 0.008°
• γ: 102.13 ± 0.008°
• Cell volume: 4184 ± 0.9 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 298.97 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: 0.1265
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2544
• Weighted residual factors for all reflections included in the refinement: 0.2863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No