Information card for entry 1503430

Structure parameters

• Formula: C66 H62 Cl2 N4 O6
• Calculated formula: C66 H62 Cl2 N4 O6
• Title of publication: Efficient synthesis of hangman porphyrins.
• Authors of publication: Dogutan, Dilek K.; Bediako, D. Kwabena; Teets, Thomas S.; Schwalbe, Matthias; Nocera, Daniel G.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1036 - 1039
• a: 13.2763 ± 0.0014 Å
• b: 13.5303 ± 0.0014 Å
• c: 17.55 ± 0.0018 Å
• α: 68.543 ± 0.002°
• β: 89.669 ± 0.002°
• γ: 72.898 ± 0.002°
• Cell volume: 2785.9 ± 0.5 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: 0.1221
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No