Information card for entry 4342414

Structure parameters

• Formula: C20 H15 N O2
• Calculated formula: C20 H15 N O2
• SMILES: o1c(c2ccc(c3c(cccc3)OC)cc2)nc2c1cccc2
• 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: 11.287 ± 0.01 Å
• b: 14.38 ± 0.013 Å
• c: 18.206 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2955 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No