Information card for entry 2242346

Structure parameters

• Chemical name: 5,15-Bis(4-methylphenyl)-10,20-bis(4-nitrophenyl)porphyrin nitrobenzene disolvate
• Formula: C58 H42 N8 O8
• Calculated formula: C58 H42 N8 O8
• Title of publication: Crystal structure of 5,15-bis(4-methylphenyl)-10,20-bis(4-nitrophenyl)porphyrin nitrobenzene disolvate
• Authors of publication: Baptayev, Bakhytzhan; Adilov, Salimgerey
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 1
• Pages of publication: 55 - 58
• a: 7.957 ± 0.003 Å
• b: 9.656 ± 0.003 Å
• c: 16.568 ± 0.005 Å
• α: 76.71 ± 0.005°
• β: 79.44 ± 0.005°
• γ: 78.173 ± 0.005°
• Cell volume: 1200.1 ± 0.7 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0849
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0465
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes