Information card for entry 2236109

Structure parameters

• Chemical name: <i>meso</i>-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate
• Formula: C51 H44 N4 O10
• Calculated formula: C51 H44 N4 O10
• Title of publication: <i>meso</i>-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate
• Authors of publication: Leonarska, Agnieszka; Zubko, Maciej; Kuś, Piotr; Kusz, Joachim; Ratuszna, Alicja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2797 - o2798
• a: 6.8715 ± 0.0005 Å
• b: 12.0783 ± 0.0007 Å
• c: 14.3772 ± 0.001 Å
• α: 112.85 ± 0.006°
• β: 98.56 ± 0.005°
• γ: 97.48 ± 0.005°
• Cell volume: 1063.97 ± 0.14 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes