Information card for entry 2007574

Structure parameters

• Common name: 1,4-bis(3-pyridinoxy)benzene
• Chemical name: 1,4-bis(3-pyridinoxy)benzene
• Formula: C16 H12 N2 O2
• Calculated formula: C16 H12 N2 O2
• SMILES: c1ccc(cn1)Oc1ccc(cc1)Oc1cccnc1
• Title of publication: 1,4-Bis(3-pyridyloxy)benzene
• Authors of publication: McMorran, David A.; Steel, Peter J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1132 - 1133
• a: 6.9174 ± 0.0004 Å
• b: 7.4267 ± 0.0004 Å
• c: 12.0693 ± 0.0007 Å
• α: 90°
• β: 98.206 ± 0.003°
• γ: 90°
• Cell volume: 613.69 ± 0.06 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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 significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No