Information card for entry 4342412

Structure parameters

• Formula: C17 H15 Cu N O11 S
• Calculated formula: C17 H15 Cu N O11 S
• Title of publication: Aerobic Oxidation of Alcohols and the Synthesis of Benzoxazoles Catalyzed by a Cuprocupric Coordination Polymer (Cu(+)-CP) Assisted by TEMPO.
• Authors of publication: Feng, Xun; Xu, Chen; Wang, Zhi-Qiang; Tang, Si-Fu; Fu, Wei-Jun; Ji, Bao-Ming; Wang, Li-Ya
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2088
• a: 8.143 ± 0.0006 Å
• b: 9.5075 ± 0.0007 Å
• c: 13.1111 ± 0.001 Å
• α: 79.967 ± 0.001°
• β: 73.074 ± 0.001°
• γ: 78.093 ± 0.001°
• Cell volume: 943.1 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0552
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No