Information card for entry 2209456

Structure parameters

• Chemical name: 5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-3,7,13,17- tetramethyl-2,8,12,18-tetrapropylporphyrin
• Formula: C64 H86 N4
• Calculated formula: C64 H86 N4
• Title of publication: 5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-3,7,13,17-tetramethyl-2,8,12,18-tetrapropylporphyrin
• Authors of publication: Boyd, Peter D. W.; Chaker, Leila; Rickard, Clifton E.F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2627 - o2629
• a: 20.9467 ± 0.0006 Å
• b: 16.3352 ± 0.0005 Å
• c: 8.0916 ± 0.0001 Å
• α: 90°
• β: 97.486 ± 0.001°
• γ: 90°
• Cell volume: 2745.09 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1842
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes