Information card for entry 7030357

Structure parameters

• Formula: C20 H25 N3 O3
• Calculated formula: C20 H25 N3 O3
• SMILES: COc1ccc(cc1)C(=O)N(C)/N=C/c1c(cc(cc1)N(CC)CC)O
• Title of publication: N-2-Hydroxybenzaldehyde acylhydrazone-Fe(iii) complex: synthesis, crystal structure and its efficient and selective N-methylation.
• Authors of publication: Li, Zhiyou; Wu, Lamei; Zhang, Tao; Huang, Zhengxi; Qiu, Guofu; Zhou, Zhongqiang; Jin, Longfei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 20
• Pages of publication: 7554 - 7560
• a: 10.319 ± 0.0015 Å
• b: 15.155 ± 0.002 Å
• c: 13.344 ± 0.0019 Å
• α: 90°
• β: 109.348 ± 0.002°
• γ: 90°
• Cell volume: 1968.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No