Information card for entry 4101618

Structure parameters

• Formula: C70 H81 N4 O3
• Calculated formula: C70 H81 N4 O3
• Title of publication: Hangman corroles: efficient synthesis and oxygen reaction chemistry.
• Authors of publication: Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Journal issue: 1
• Pages of publication: 131 - 140
• a: 12.5672 ± 0.0004 Å
• b: 14.0364 ± 0.0005 Å
• c: 18.2951 ± 0.0006 Å
• α: 68.058 ± 0.002°
• β: 87.816 ± 0.002°
• γ: 73.334 ± 0.002°
• Cell volume: 2859.03 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No