Information card for entry 7206390

Structure parameters

• Formula: C42 H62 N6 O2
• Calculated formula: C42 H62 N6 O2
• SMILES: c1c(cc(OCCCCCCCC)c(/C=N/C(=C(C#N)/N=C/c2ccc(cc2OCCCCCCCC)N(CC)CC)C#N)c1)N(CC)CC
• Title of publication: Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives
• Authors of publication: Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 5374
• a: 8.041 ± 0.0009 Å
• b: 9.1576 ± 0.0011 Å
• c: 14.7496 ± 0.0018 Å
• α: 80.917 ± 0.006°
• β: 83.981 ± 0.006°
• γ: 78.266 ± 0.005°
• Cell volume: 1047.1 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.2802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No