Information card for entry 7244424

Structure parameters

• Formula: C336 H312 Cl16 Cu8 N32 O68 S16
• Calculated formula: C336 H312 Cl16 Cu8 N32 O68 S16
• 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: 21.1362 ± 0.0006 Å
• b: 11.2833 ± 0.0002 Å
• c: 38.192 ± 0.002 Å
• α: 90°
• β: 104.463 ± 0.004°
• γ: 90°
• Cell volume: 8819.6 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.1106
• Weighted residual factors for significantly intense reflections: 0.2839
• Weighted residual factors for all reflections included in the refinement: 0.2952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No