Information card for entry 7125387

Structure parameters

• Formula: C18 H15 Cl0 F0 N4 O
• Calculated formula: C46 H20 Cl3 F11 N2 O8
• 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: 12.9539 ± 0.0016 Å
• b: 14.4757 ± 0.0018 Å
• c: 14.725 ± 0.0018 Å
• α: 70.698 ± 0.003°
• β: 66.001 ± 0.003°
• γ: 67.022 ± 0.003°
• Cell volume: 2273.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0531
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No