Information card for entry 2222665

Structure parameters

• Chemical name: 2,2'-[1,1'-(Decane-1,10-diyldioxydinitrilo)diethylidyne]diphenol
• Formula: C26 H36 N2 O4
• Calculated formula: C26 H36 N2 O4
• SMILES: Oc1ccccc1/C(=N/OCCCCCCCCCCO/N=C(/c1ccccc1O)C)C
• Title of publication: 2,2'-[1,1'-(Decane-1,10-diyldioxydinitrilo)diethylidyne]diphenol
• Authors of publication: Wang, Xiao-Qiang; Tong, Jun-Feng; Dong, Wen-Kui; Gong, Shang-Sheng; Wu, Jian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2013
• a: 13.0031 ± 0.0016 Å
• b: 4.6922 ± 0.0006 Å
• c: 40.654 ± 0.003 Å
• α: 90°
• β: 93.109 ± 0.002°
• γ: 90°
• Cell volume: 2476.8 ± 0.5 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: 0.1373
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.2601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes