Information card for entry 2211787

Structure parameters

• Chemical name: N,N,N',N'-Tetrakis{3-[1-(2-hydroxy-4- methoxyphenyl)ethenylamino]propyl}ethylenediamine
• Formula: C50 H68 N6 O8
• Calculated formula: C50 H68 N6 O8
• SMILES: COc1ccc(c(c1)O)/C(=N/CCCN(CCN(CCC/N=C(/c1ccc(cc1O)OC)C)CCC/N=C(/c1ccc(cc1O)OC)C)CCC/N=C(/c1ccc(cc1O)OC)C)C
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis{3-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]propyl}ethylenediamine
• Authors of publication: Xing-You Xu; Tong-Tao Xu; Da-Qi Wang; Jian Gao; Dao-Nian Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o103 - o104
• a: 6.761 ± 0.004 Å
• b: 11.928 ± 0.006 Å
• c: 15.575 ± 0.008 Å
• α: 82.263 ± 0.008°
• β: 85.777 ± 0.008°
• γ: 73.743 ± 0.008°
• Cell volume: 1194 ± 1.1 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: 0.1554
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes