Information card for entry 1501718

Structure parameters

• Formula: C22 H30 N4 O2
• Calculated formula: C22 H30 N4 O2
• SMILES: CCN(c1ccc(c(c1)O)/C=N/N=C/c1ccc(cc1O)N(CC)CC)CC
• Title of publication: Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor‒Acceptor (D‒A) Attached Salicylaldehyde Azine Derivatives
• Authors of publication: Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2011
• Journal volume: 115
• Journal issue: 29
• Pages of publication: 14353
• a: 12.055 ± 0.003 Å
• b: 6.5584 ± 0.0015 Å
• c: 13.381 ± 0.006 Å
• α: 90°
• β: 95.95 ± 0.02°
• γ: 90°
• Cell volume: 1052.2 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1784
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No