Information card for entry 2223496

Structure parameters

• Chemical name: 1,4-Bis(2-pyridylmethoxy)benzene
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: c1ccc(nc1)COc1ccc(cc1)OCc1ccccn1
• Title of publication: 1,4-Bis(2-pyridylmethoxy)benzene
• Authors of publication: Gao, Jin-Sheng; Liu, Ying; Zhang, Shuang; Hou, Guang-Feng; Yan, Peng-Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2432
• a: 9.802 ± 0.007 Å
• b: 3.988 ± 0.002 Å
• c: 18.421 ± 0.011 Å
• α: 90°
• β: 93.77 ± 0.03°
• γ: 90°
• Cell volume: 718.5 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No