Information card for entry 1503428

Structure parameters

• Formula: C49 H40 Cl2 N4 O4
• Calculated formula: C49 H40 Cl2 N4 O4
• 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: 14.1471 ± 0.0016 Å
• b: 9.6689 ± 0.0011 Å
• c: 15.6438 ± 0.0017 Å
• α: 90°
• β: 101.356 ± 0.002°
• γ: 90°
• Cell volume: 2098 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.229
• Weighted residual factors for all reflections included in the refinement: 0.2524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No