Information card for entry 2016724

Structure parameters

• Chemical name: <i>N</i>-[(2-Phenyl-2H-1,2,3-triazol-4-yl)methylene]-2-(2-(2-phenyl-2H-1,2,3- triazol-4-yl)-3-{2-[(2-phenyl-2H-1,2,3-triazol-4- yl)methyleneamino]ethyl}imidazolidin-1-yl)ethanamine
• Formula: C33 H33 N13
• Calculated formula: C33 H33 N13
• SMILES: n1n(ncc1/C=N/CCN1CCN(CC/N=C/c2nn(nc2)c2ccccc2)C1c1nn(nc1)c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-[(2-Phenyl-2<i>H</i>-1,2,3-triazol-4-yl)methylene]-2-(2-(2-phenyl-2<i>H</i>-1,2,3-triazol-4-yl)-3-{2-[(2-phenyl-2<i>H</i>-1,2,3-triazol-4-yl)methyleneamino]ethyl}imidazolidin-1-yl)ethanamine
• Authors of publication: Feng, Yue; Liu, Gang; Yue, Fan; Wang, Ji-De
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o426 - o427
• a: 7.7473 ± 0.0016 Å
• b: 12.35 ± 0.003 Å
• c: 17.211 ± 0.004 Å
• α: 87.487 ± 0.005°
• β: 82.227 ± 0.005°
• γ: 80.247 ± 0.005°
• Cell volume: 1607.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes