Information card for entry 7135056

Structure parameters

• Formula: C38 H22 F6 N4
• Calculated formula: C38 H22 F6 N4
• Title of publication: Targeted synthesis of a positional isomer of aromatic <i>N</i>-methyl <i>N</i>-confused corrole and its organocopper(III) complex.
• Authors of publication: Panua, Anirban; Velmurugan, Gunasekaran; Comba, Peter; Rath, Harapriya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 89
• Pages of publication: 17436 - 17439
• a: 17.1 ± 0.003 Å
• b: 17.498 ± 0.003 Å
• c: 13.593 ± 0.003 Å
• α: 90°
• β: 112.31 ± 0.005°
• γ: 90°
• Cell volume: 3762.8 ± 1.2 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 2 K
• Number of distinct elements: 4
• 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: 0.1813
• Residual factor for significantly intense reflections: 0.1217
• Weighted residual factors for significantly intense reflections: 0.2939
• Weighted residual factors for all reflections included in the refinement: 0.3316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No