Information card for entry 4336228

Structure parameters

• Formula: C53 H38 N4 O2
• Calculated formula: C53 H38 N4 O2
• Title of publication: Unusual Inner C-Alkylation of 2-N-Substituted N-Confused Porphyrin Cobalt Complexes in Toluene and p-Xylene
• Authors of publication: Yu-Cheng Wang; Jyh-Horung Chen; Shin-Shin Wang; Jo-Yu Tung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10711 - 10713
• a: 10.1896 ± 0.0007 Å
• b: 13.0973 ± 0.0009 Å
• c: 15.0671 ± 0.0009 Å
• α: 83.077 ± 0.004°
• β: 86.035 ± 0.004°
• γ: 76.838 ± 0.004°
• Cell volume: 1941.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0936
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No