Information card for entry 4302942

Structure parameters

• Formula: C38 H25 Cu N4 O
• Calculated formula: C38 H25 Cu N4 O
• SMILES: [Cu]123[n]4c5C(=c6n3c(=C(c3[n]1c(cc3)=C(c1[n]2c(=c4cc5)cc1)c1ccccc1)c1ccc(OC)cc1)cc6)c1ccccc1
• Title of publication: Copper Corroles Are Inherently Saddled
• Authors of publication: Abraham B. Alemayehu; Emmanuel Gonzalez; Lars Kristian Hansen; Abhik Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7794 - 7799
• a: 10.489 ± 0.006 Å
• b: 22.164 ± 0.012 Å
• c: 12.456 ± 0.007 Å
• α: 90°
• β: 90.383 ± 0.014°
• γ: 90°
• Cell volume: 2896 ± 3 ų
• Cell temperature: 293.1 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 significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No