Information card for entry 2228279

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-3,3'-Dimethyl-1,1'-diphenyl-4,4'-{[3-azapentane- 1,5-diylbis(azanediyl)]bis(phenylmethylidyne)}di-1<i>H</i>-pyrazol- 5(4<i>H</i>)-one
• Formula: C38 H37 N7 O2
• Calculated formula: C38 H37 N7 O2
• SMILES: CC1=NN(C(=O)/C1=C(c1ccccc1)\NCCNCCN/C(=C1/C(=NN(C1=O)c1ccccc1)C)c1ccccc1)c1ccccc1
• Title of publication: (<i>E</i>,<i>E</i>)-3,3'-Dimethyl-1,1'-diphenyl-4,4'-{[3-azapentane-1,5-diylbis(azanediyl)]bis(phenylmethylidyne)}di-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Zhang, Zhao-Po; Wang, Yuan; Li, Xiao-Xia; Li, Yan-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3326
• a: 20.3219 ± 0.0008 Å
• b: 8.199 ± 0.0002 Å
• c: 20.5468 ± 0.0006 Å
• α: 90°
• β: 106.748 ± 0.002°
• γ: 90°
• Cell volume: 3278.27 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes