Information card for entry 7125388

Structure parameters

• Formula: C168 H72 Cl12 F20 N8 O16
• Calculated formula: C168 H72 Cl12 F20 N8 O16
• Title of publication: meso-Alkylidenyl dibenzihexaphyrins: synthesis and protonation studies.
• Authors of publication: Hong, Seong-Jin; Dutta, Ranjan; Kumar, Ravi; He, Qing; Lynch, Vincent M.; Sessler, Jonathan L.; Lee, Chang-Hee
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 65
• Pages of publication: 9693 - 9696
• a: 19.5016 ± 0.0003 Å
• b: 35.2797 ± 0.0007 Å
• c: 23.3317 ± 0.0006 Å
• α: 90°
• β: 90.269 ± 0.002°
• γ: 90°
• Cell volume: 16052.3 ± 0.6 ų
• Cell temperature: 99.95 ± 0.18 K
• Ambient diffraction temperature: 99.95 ± 0.18 K
• Number of distinct elements: 6
• 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: 0.177
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.3053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No