Information card for entry 7244426

Structure parameters

• Formula: C21 H20 Cl2 Cu N2 S
• Calculated formula: C21 H20 Cl2 Cu N2 S
• Title of publication: Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions
• Authors of publication: Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 2542 - 2556
• a: 8.7543 ± 0.0002 Å
• b: 8.91433 ± 0.00017 Å
• c: 14.2328 ± 0.0006 Å
• α: 92.973 ± 0.003°
• β: 97.234 ± 0.003°
• γ: 113.73 ± 0.002°
• Cell volume: 1002.26 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2628
• Weighted residual factors for all reflections included in the refinement: 0.2633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No