Information card for entry 2223519

Structure parameters

• Chemical name: 2,2'-[1,1'-(Octane-1,8-diyldioxydinitrilo)diethylidyne]diphenol
• Formula: C24 H32 N2 O4
• Calculated formula: C24 H32 N2 O4
• SMILES: Oc1ccccc1/C(=N/OCCCCCCCCO/N=C(/c1ccccc1O)C)C
• Title of publication: 2,2'-[1,1'-(Octane-1,8-diyldioxydinitrilo)diethylidyne]diphenol
• Authors of publication: Dong, Wen-Kui; Tong, Jun-Feng; Yao, Jian; Gong, Shang-Sheng; Wu, Jian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2311
• a: 12.9524 ± 0.0012 Å
• b: 4.6667 ± 0.0006 Å
• c: 37.722 ± 0.003 Å
• α: 90°
• β: 99.379 ± 0.002°
• γ: 90°
• Cell volume: 2249.6 ± 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: 0.1103
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes