Information card for entry 7125386

Structure parameters

• Formula: C72.89 H33.78 Cl0 F8.89 N3.56 O10.67
• Calculated formula: C72.8889 H33.7778 F8.88889 N3.55556 O10.6667
• 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: 20.1536 ± 0.0004 Å
• b: 20.1536 ± 0.0004 Å
• c: 55.493 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22539.5 ± 1 ų
• Cell temperature: 99.97 ± 0.16 K
• Ambient diffraction temperature: 99.97 ± 0.16 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1782
• Residual factor for significantly intense reflections: 0.1311
• Weighted residual factors for significantly intense reflections: 0.3318
• Weighted residual factors for all reflections included in the refinement: 0.3889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No