Information card for entry 7156723

Structure parameters

• Chemical name: Copper(II) 5,10,15-tris(4'-methoxyphenyl)-10-(2''-pyrrolyl)isocorrole
• Formula: C45 H34 Cl3 Cu N5 O3
• Calculated formula: C44.9929 H33.9929 Cl2.9787 Cu N5 O3
• Title of publication: Rapid one-pot synthesis of pyrrole-appended isocorroles.
• Authors of publication: Larsen, Simon; McCormick, Laura J.; Ghosh, Abhik
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 3159 - 3166
• a: 11.1767 ± 0.0016 Å
• b: 11.631 ± 0.0016 Å
• c: 15.297 ± 0.002 Å
• α: 104.788 ± 0.003°
• β: 91.215 ± 0.003°
• γ: 96.469 ± 0.003°
• Cell volume: 1907.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No