Information card for entry 2228784

Structure parameters

• Common name: 1,1'-Dibutyl-isoindigo
• Chemical name: (<i>E</i>)-1,1'-Dibutyl-3,3'-biindolinylidene-2,2'-dione
• Formula: C24 H26 N2 O2
• Calculated formula: C24 H26 N2 O2
• SMILES: O=C1N(c2c(/C1=C1\C(=O)N(c3c1cccc3)CCCC)cccc2)CCCC
• Title of publication: (<i>E</i>)-1,1'-Dibutyl-3,3'-biindolinylidene-2,2'-dione
• Authors of publication: Yuan, Mao-Sen; Fang, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o52
• a: 8.9224 ± 0.0003 Å
• b: 11.9605 ± 0.0005 Å
• c: 9.6827 ± 0.0004 Å
• α: 90°
• β: 110.782 ± 0.001°
• γ: 90°
• Cell volume: 966.07 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes