Information card for entry 2208844

Structure parameters

• Chemical name: 5,15-Bis(p-methylphenyl)-2,8,12,18-tetrabutyl-3,7,13,17- tetramethylporphyrin
• Formula: C54 H66 N4
• Calculated formula: C54 H66 N4
• Title of publication: 5,15-Bis(<i>p</i>-methylphenyl)-2,8,12,18-tetrabutyl-3,7,13,17-tetramethylporphyrin
• Authors of publication: Boyd, Peter D.W.; Hosseini, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2081 - o2083
• a: 7.0708 ± 0.0001 Å
• b: 10.8464 ± 0.0002 Å
• c: 15.4009 ± 0.0001 Å
• α: 108.474 ± 0.001°
• β: 102.774 ± 0.001°
• γ: 91.093 ± 0.001°
• Cell volume: 1087.46 ± 0.03 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes