Information card for entry 2226750

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-3,3'-Dimethyl-1,1'-diphenyl-4,4'-{(ethane-1,2- diyldiimino)bis[(2-furyl)methylidyne]}di-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C32 H28 N6 O4
• Calculated formula: C32 H28 N6 O4
• SMILES: CC1=NN(C(=O)/C1=C(c1ccco1)\NCCN/C(=C1/C(=NN(C1=O)c1ccccc1)C)c1ccco1)c1ccccc1
• Title of publication: (<i>E</i>,<i>E</i>)-3,3'-Dimethyl-1,1'-diphenyl-4,4'-{(ethane-1,2-diyldiimino)bis[(2-furyl)methylidyne]}di-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Wang, Hai-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1534
• a: 10.7438 ± 0.0006 Å
• b: 7.6999 ± 0.0004 Å
• c: 16.8273 ± 0.0009 Å
• α: 90°
• β: 93.937 ± 0.001°
• γ: 90°
• Cell volume: 1388.77 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes