Information card for entry 7705075

Structure parameters

• Formula: C14 H17 N3 O5
• Calculated formula: C14 H17 N3 O5
• SMILES: c1(c2ccc(c3n(cccc3)=O)[nH]2)ccccn1=O.O.O.O
• 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: 16.0485 ± 0.0005 Å
• b: 8.2154 ± 0.0002 Å
• c: 22.2672 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2935.82 ± 0.14 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: 0.1417
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No