Information card for entry 7062713

Structure parameters

• Formula: C23 H19 Cl2 Cu N3 O2
• Calculated formula: C23 H19 Cl2 Cu N3 O2
• SMILES: [Cu]12(Cl)Oc3ccc4c(cccc4)c3C=[N]2N(c2ccccc2)c2[n]1c(Cl)ccc2.OC
• Title of publication: Facile synthesis of benzoxazole derivatives by a multi-component reaction catalysed by copper complexes capable of generating phenoxyl radical complex
• Authors of publication: Chaudhary, Virendra Kumar; Singh, Sain; Kumar, Kapil; Choudhury, Angshuman R.; Ghosh, Kaushik
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 18995 - 19004
• a: 9.0804 ± 0.0007 Å
• b: 20.1924 ± 0.0016 Å
• c: 11.897 ± 0.0009 Å
• α: 90°
• β: 91.264 ± 0.004°
• γ: 90°
• Cell volume: 2180.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0896
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2455
• Weighted residual factors for all reflections included in the refinement: 0.2539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No