Information card for entry 2223351

Structure parameters

• Chemical name: 1,4-Bis(pyridin-3-ylmethoxy)benzene
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: c1ccc(cn1)COc1ccc(cc1)OCc1cccnc1
• Title of publication: 1,4-Bis(pyridin-3-ylmethoxy)benzene
• Authors of publication: Gao, Jin-Sheng; Liu, Ying; Zhang, Shuang; Zuo, Dian-Fa; Hou, Guang-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2457
• a: 6.852 ± 0.005 Å
• b: 5.688 ± 0.003 Å
• c: 18.861 ± 0.012 Å
• α: 90°
• β: 90.6 ± 0.03°
• γ: 90°
• Cell volume: 735.1 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes