Information card for entry 2223839

Structure parameters

• Chemical name: 1,3-Bis[(4-methylbenzylidene)aminooxy]propane
• Formula: C19 H22 N2 O2
• Calculated formula: C19 H22 N2 O2
• SMILES: Cc1ccc(cc1)/C=N/OCCCO/N=C/c1ccc(cc1)C
• Title of publication: 1,3-Bis[(4-methylbenzylidene)aminooxy]propane
• Authors of publication: Wu, Jian-Chao; Gao, Su-Xia; Dong, Wen-Kui; Tong, Jun-Feng; Li, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2784
• a: 29.843 ± 0.002 Å
• b: 4.8668 ± 0.0007 Å
• c: 12.1202 ± 0.0011 Å
• α: 90°
• β: 98.568 ± 0.001°
• γ: 90°
• Cell volume: 1740.7 ± 0.3 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: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes