Information card for entry 2217041

Structure parameters

• Chemical name: 1,3,5-Tris(6-chloropyrazin-2-yloxy)benzene
• Formula: C18 H9 Cl3 N6 O3
• Calculated formula: C18 H9 Cl3 N6 O3
• SMILES: Clc1nc(Oc2cc(Oc3nc(Cl)cnc3)cc(Oc3nc(Cl)cnc3)c2)cnc1
• Title of publication: 1,3,5-Tris(6-chloropyrazin-2-yloxy)benzene
• Authors of publication: Yan Li; Jian-Wu Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o168 - o168
• a: 9.68 ± 0.002 Å
• b: 10.658 ± 0.002 Å
• c: 11.039 ± 0.003 Å
• α: 72.768 ± 0.003°
• β: 68.308 ± 0.003°
• γ: 69.342 ± 0.003°
• Cell volume: 972 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1077
• 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