Information card for entry 2213374

Structure parameters

• Chemical name: 2-{[Tris(2-pyridyl)methyl]iminomethyl}phenol
• Formula: C23 H18 N4 O
• Calculated formula: C23 H18 N4 O
• SMILES: N(=C/c1c(O)cccc1)\C(c1ncccc1)(c1ncccc1)c1ncccc1
• Title of publication: 2-[(Tri-2-pyridylmethyl)iminomethyl]phenol
• Authors of publication: Li, Yin-Huai; Gao, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2291 - o2292
• a: 8.6327 ± 0.0001 Å
• b: 10.6779 ± 0.0002 Å
• c: 10.8432 ± 0.0002 Å
• α: 79.001 ± 0.001°
• β: 85.057 ± 0.001°
• γ: 72.838 ± 0.001°
• Cell volume: 936.99 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes