Information card for entry 2216310

Structure parameters

• Chemical name: 1,4-Bis(pyrazin-2-yloxy)benzene
• Formula: C14 H10 N4 O2
• Calculated formula: C14 H10 N4 O2
• SMILES: n1ccnc(c1)Oc1ccc(cc1)Oc1nccnc1
• Title of publication: 1,4-Bis(pyrazin-2-yloxy)benzene
• Authors of publication: Lei He; Wen-Qin Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4749 - o4749
• a: 5.8927 ± 0.0018 Å
• b: 6.72 ± 0.002 Å
• c: 8.212 ± 0.003 Å
• α: 70.136 ± 0.004°
• β: 89.296 ± 0.005°
• γ: 82.674 ± 0.005°
• Cell volume: 303.17 ± 0.17 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes