Information card for entry 2220855

Structure parameters

• Chemical name: 1,4-Bis(6-chloropyrimidin-4-yloxy)benzene
• Formula: C14 H8 Cl2 N4 O2
• Calculated formula: C14 H8 Cl2 N4 O2
• SMILES: Clc1ncnc(c1)Oc1ccc(cc1)Oc1ncnc(c1)Cl
• Title of publication: 1,4-Bis(6-chloropyrimidin-4-yloxy)benzene
• Authors of publication: Ma, Wen; Li, Hongyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o223
• a: 19.076 ± 0.0005 Å
• b: 6.9693 ± 0.0002 Å
• c: 10.7893 ± 0.0003 Å
• α: 90°
• β: 93.301 ± 0.003°
• γ: 90°
• Cell volume: 1432.02 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes