Information card for entry 2222213

Structure parameters

• Chemical name: 2,2'-[1,1'-(Heptane-1,7-diyldioxydinitrilo)diethylidyne]di-1-naphthol
• Formula: C31 H34 N2 O4
• Calculated formula: C31 H34 N2 O4
• SMILES: N(=C(C)\c1c(O)c2c(cc1)cccc2)/OCCCCCCCO/N=C(C)/c1c(O)c2c(cc1)cccc2
• Title of publication: 2,2'-[1,1'-(Heptane-1,7-diyldioxydinitrilo)diethylidyne]di-1-naphthol
• Authors of publication: Dong, Wen-Kui; Wu, Jian-Chao; Sun, Yin-Xia; Tong, Jun-Feng; Gong, Shang-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1627
• a: 11.167 ± 0.0012 Å
• b: 30.992 ± 0.003 Å
• c: 8.0562 ± 0.001 Å
• α: 90°
• β: 106.999 ± 0.002°
• γ: 90°
• Cell volume: 2666.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes