Information card for entry 2215769

Structure parameters

• Common name: 1,1'-Dibutyl-isoindigo (E)-1-butyl-3-(1-butyl-2-oxoindolin-3-ylidene)indolin-2-one
• Chemical name: 1,1'-Dibutyl-3,3'-biindolinylidene-2,2'-dione
• Formula: C24 H26 N2 O2
• Calculated formula: C24 H26 N2 O2
• SMILES: CCCCN1C(=O)/C(=C2\c3ccccc3N(C2=O)CCCC)c2c1cccc2
• Title of publication: 1,1'-Dibutyl-3,3'-biindolinylidene-2,2'-dione
• Authors of publication: Yuan, Mao-Sen; Fang, Qi; Ji, Lei; Yu, Wen-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4342 - o4342
• a: 9.0301 ± 0.0002 Å
• b: 12.0559 ± 0.0003 Å
• c: 9.8618 ± 0.0002 Å
• α: 90°
• β: 110.546 ± 0.002°
• γ: 90°
• Cell volume: 1005.32 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes