Information card for entry 7156722

Structure parameters

• Chemical name: 5,10,15-tris(4'-methoxyphenyl)-5-(2''-pyrrolyl)isocorrole
• Formula: C45 H37 Cl2 N5 O3
• Calculated formula: C45 H37 Cl2 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: 9.7321 ± 0.0006 Å
• b: 12.1142 ± 0.0007 Å
• c: 16.7703 ± 0.001 Å
• α: 85.618 ± 0.002°
• β: 85.655 ± 0.002°
• γ: 70.199 ± 0.002°
• Cell volume: 1852.2 ± 0.19 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: 0.097
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No