Information card for entry 7206385

Structure parameters

• Formula: C38 H38 N6 O2
• Calculated formula: C38 H38 N6 O2
• SMILES: C(=C(C#N)\N=C\c1ccc(cc1Oc1ccccc1)N(CC)CC)(C#N)/N=C/c1c(Oc2ccccc2)cc(cc1)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: 9.05098 ± 0.00016 Å
• b: 18.4036 ± 0.0003 Å
• c: 10.30599 ± 0.00019 Å
• α: 90°
• β: 95.8851 ± 0.0007°
• γ: 90°
• Cell volume: 1707.63 ± 0.05 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 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 significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.783
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No