Information card for entry 7057102

Structure parameters

• Formula: C46 H33 Cu N4 O2
• Calculated formula: C46 H33 Cu N4 O2
• Title of publication: Moving corrole towards a red-record: synthesis of β-acrolein Ga and Cu corroles using the Vilsmeier reaction
• Authors of publication: Savoldelli, A.; Nardis, S.; Genovese, D.; Prodi, L.; Fronczek, F. R.; Smith, K. M.; Paolesse, R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 8200
• a: 13.677 ± 0.0004 Å
• b: 25.6111 ± 0.0009 Å
• c: 26.6282 ± 0.0009 Å
• α: 90°
• β: 93.512 ± 0.002°
• γ: 90°
• Cell volume: 9309.9 ± 0.5 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1903
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No