Information card for entry 2015776

Structure parameters

• Chemical name: 2-[N,N-Bis(2-pyridylmethyl)aminomethyl]-6-[N-(2-hydroxyanilino)methyl]- 4-methylphenol
• Formula: C27 H28 N4 O2
• Calculated formula: C27 H28 N4 O2
• Title of publication: 2-{[Bis(2-pyridylmethyl)amino]methyl}-6-[(2-hydroxyanilino)methyl]-4-methylphenol: a novel binucleating asymmetric ligand as a precursor to synthetic models for metalloenzymes
• Authors of publication: Bortoluzzi, Adailton J.; Neves, Ademir; Rey, Nicolas A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o84 - o86
• a: 12.651 ± 0.001 Å
• b: 21.071 ± 0.005 Å
• c: 9.262 ± 0.001 Å
• α: 90°
• β: 106.09 ± 0.01°
• γ: 90°
• Cell volume: 2372.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.151
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No