Information card for entry 4101619

Structure parameters

• Formula: C61 H54 F10 N4 O3
• Calculated formula: C61 H54 F10 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: 8.517 ± 0.0003 Å
• b: 17.212 ± 0.0005 Å
• c: 19.8004 ± 0.0006 Å
• α: 111.439 ± 0.002°
• β: 96.92 ± 0.002°
• γ: 102.502 ± 0.002°
• Cell volume: 2573.31 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No