Information card for entry 7063504

Structure parameters

• Formula: C60 H44 Cu N4 O4
• Calculated formula: C60 H44 Cu N4 O4
• Title of publication: β-Methoxyphenyl substituted porphyrins: synthesis, characterization and comprehensive spectral, structural, electrochemical and theoretical analysis
• Authors of publication: Arif, Waseem; Kumar, Vipin; Chetti, Prabhakar; Kumar, Ravi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 13.2014 ± 0.0007 Å
• b: 13.3397 ± 0.0007 Å
• c: 14.8686 ± 0.0007 Å
• α: 65.629 ± 0.002°
• β: 76.969 ± 0.002°
• γ: 89.43 ± 0.002°
• Cell volume: 2313.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No