Information card for entry 7132377

Structure parameters

• Formula: C37 H44 N4 O6 Zn
• Calculated formula: C37 H44 N4 O6 Zn
• Title of publication: 5- and 10-oxocorroles from β-octaalkylcorroles.
• Authors of publication: Di Zazzo, Lorena; Nardis, Sara; Caroleo, Fabrizio; Pizzoli, Francesco; Fronczek, Frank R.; Smith, Kevin M.; Berna, Beatrice Berionni; Paolesse, Roberto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 60
• Journal issue: 1
• Pages of publication: 102 - 105
• a: 11.5986 ± 0.0004 Å
• b: 12.6596 ± 0.0005 Å
• c: 13.1983 ± 0.0005 Å
• α: 78.37 ± 0.002°
• β: 64.275 ± 0.002°
• γ: 76.951 ± 0.003°
• Cell volume: 1688.91 ± 0.11 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.0572
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No