Information card for entry 7206386

Structure parameters

• Formula: C30 H38 N6 O2
• Calculated formula: C30 H38 N6 O2
• SMILES: O(c1c(/C=N/C(=C(/N=C/c2ccc(N(CC)CC)cc2OCC)C#N)/C#N)ccc(N(CC)CC)c1)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: 10.17467 ± 0.00018 Å
• b: 10.78264 ± 0.00019 Å
• c: 14.7446 ± 0.0003 Å
• α: 108.431 ± 0.0007°
• β: 93.431 ± 0.0007°
• γ: 105.419 ± 0.0007°
• Cell volume: 1460.99 ± 0.05 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 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: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.911
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No