Information card for entry 7062714

Structure parameters

• Formula: C26 H29 Cl2 Cu N3 O
• Calculated formula: C26 H29 Cl2 Cu N3 O
• SMILES: [Cu]12(Cl)Oc3c(cc(cc3C(C)(C)C)C(C)(C)C)C=[N]1N(c1[n]2c(Cl)ccc1)c1ccccc1
• 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: 13.9524 ± 0.0005 Å
• b: 12.3044 ± 0.0004 Å
• c: 15.0863 ± 0.0006 Å
• α: 90°
• β: 96.271 ± 0.003°
• γ: 90°
• Cell volume: 2574.46 ± 0.16 ų
• Cell temperature: 296 ± 0.2 K
• Ambient diffraction temperature: 296 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0999
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No