Information card for entry 2224225

Structure parameters

• Chemical name: 5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-10,20-bis(phenylethynyl)porphyrin
• Formula: C64 H62 N4
• Calculated formula: C64 H62 N4
• Title of publication: 5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-10,20-bis(phenylethynyl)porphyrin
• Authors of publication: Kim, Hee Jung; Singh, Atul P.; Kim, Hee-Joon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3004 - o3005
• a: 9.9598 ± 0.0019 Å
• b: 10.496 ± 0.002 Å
• c: 13.925 ± 0.003 Å
• α: 86.236 ± 0.004°
• β: 80.266 ± 0.004°
• γ: 82.765 ± 0.004°
• Cell volume: 1421.8 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1664
• Residual factor for significantly intense reflections: 0.1066
• Weighted residual factors for significantly intense reflections: 0.2819
• Weighted residual factors for all reflections included in the refinement: 0.3146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes