Information card for entry 2219330

Structure parameters

• Chemical name: 2,2'-[1,1'-(Hexane-1,6-diyldioxydinitrilo)diethylidyne]diphenol
• Formula: C22 H28 N2 O4
• Calculated formula: C22 H28 N2 O4
• SMILES: Oc1ccccc1/C(=N/OCCCCCCO/N=C(/c1ccccc1O)C)C
• Title of publication: 2,2'-[1,1'-(Hexane-1,6-diyldioxydinitrilo)diethylidyne]diphenol
• Authors of publication: Dong, Wen-Kui; He, Xue-Ni; Sun, Yin-Xia; Xu, Li; Tong, Jun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1726
• a: 13.0052 ± 0.0019 Å
• b: 4.6441 ± 0.0006 Å
• c: 34.221 ± 0.003 Å
• α: 90°
• β: 95 ± 0.002°
• γ: 90°
• Cell volume: 2059 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes