Information card for entry 2222344

Structure parameters

• Chemical name: 2,2'-[1,1'-(Propane-1,3-diyldioxydinitrilo)diethylidyne]di-1-naphthol
• Formula: C27 H26 N2 O4
• Calculated formula: C27 H26 N2 O4
• SMILES: N(=C(\C)c1c(O)c2c(cc1)cccc2)\OCCCO/N=C(C)/c1c(O)c2c(cc1)cccc2
• Title of publication: 2,2'-[1,1'-(Propane-1,3-diyldioxydinitrilo)diethylidyne]di-1-naphthol
• Authors of publication: Dong, Wen-Kui; Wu, Jian-Chao; Sun, Yin-Xia; Li, Li; Yao, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1657
• a: 7.4411 ± 0.001 Å
• b: 8.8911 ± 0.0016 Å
• c: 18.106 ± 0.002 Å
• α: 100.645 ± 0.001°
• β: 94.331 ± 0.001°
• γ: 106.329 ± 0.002°
• Cell volume: 1119.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes