Information card for entry 2224415

Structure parameters

• Chemical name: 2-Benzyloxybenzaldehyde azine
• Formula: C28 H24 N2 O2
• Calculated formula: C28 H24 N2 O2
• SMILES: c1ccc(cc1)COc1ccccc1/C=N/N=C/c1ccccc1OCc1ccccc1
• Title of publication: 2-Benzyloxybenzaldehyde azine
• Authors of publication: Cen, Fei-Fei; Xu, Chen; Wang, Zhi-Qiang; Cheng, Lin; Zhang, Yu-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3051
• a: 11.222 ± 0.002 Å
• b: 8.1157 ± 0.0015 Å
• c: 12.799 ± 0.002 Å
• α: 90°
• β: 102.297 ± 0.003°
• γ: 90°
• Cell volume: 1138.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.105
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes