Information card for entry 7705072

Structure parameters

• Formula: C14 H11 N3 O
• Calculated formula: C14 H11 N3 O
• SMILES: O=n1c(c2[nH]c(c3ncccc3)cc2)cccc1
• Title of publication: Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.
• Authors of publication: Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 35
• Pages of publication: 12365 - 12371
• a: 10.3807 ± 0.0004 Å
• b: 10.4296 ± 0.0004 Å
• c: 11.1541 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1207.62 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No