Information card for entry 7132137

Structure parameters

• Chemical name: 9,16,27,34-Tetra-azonianonacyclo[32.2.2.22,5.26,9.211,14.216,19.220,23.224,27.229,32]dopentaconta-1(36),2,4,6,8,11,13,16,18,20,22,24,26,29,31,34,37,39,41,43,45,47,49,51-tetracosaene tetrakis(hexafluorophosphate) (1E,1'E)-1,1'-(anthracene-9,10-diyl)bis(N-(4-(tert-butyl)phenyl)methanimine) acetonitrile solvate
• Formula: C104 H106 F24 N16 P4
• Calculated formula: C104 H106 F24 N16 P4
• Title of publication: Rapid single crystal growth <i>via</i> guest displacement from host-guest complexes.
• Authors of publication: Horvath, Mikayla L.; Jumbelic, Caylee E.; Burynski, Rosemarie A.; Mistrot, M. Brody; Pike, Robert D.; Smith, Brian J.; Arslan, Hasan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 14.4346 ± 0.0002 Å
• b: 19.101 ± 0.0003 Å
• c: 21.581 ± 0.0004 Å
• α: 68.078 ± 0.001°
• β: 72.522 ± 0.001°
• γ: 89.717 ± 0.001°
• Cell volume: 5226.35 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1028
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2651
• Weighted residual factors for all reflections included in the refinement: 0.2751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No