Information card for entry 2016059

Structure parameters

• Chemical name: 20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid‒4-acetylpyridine‒tetrahydrofuran (1/2/10)
• Formula: C100 H123 N7 O18
• Calculated formula: C60 H43 N7 O8
• Title of publication: Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates
• Authors of publication: Sankar Muniappan; Sophia Lipstman; Israel Goldberg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o395 - o399
• a: 7.6005 ± 0.0003 Å
• b: 15.6609 ± 0.001 Å
• c: 18.6149 ± 0.0012 Å
• α: 77.718 ± 0.003°
• β: 89.63 ± 0.004°
• γ: 78.805 ± 0.004°
• Cell volume: 2122.4 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes