Information card for entry 7150048

Structure parameters

• Common name: 8
• Chemical name: 2,2'-biquinoxaline
• Formula: C16 H10 N4
• Calculated formula: C16 H10 N4
• SMILES: c1ccc2nc(c3cnc4ccccc4n3)cnc2c1
• Title of publication: Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
• Authors of publication: Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 498 - 502
• a: 5.779 ± 0.003 Å
• b: 5.35 ± 0.003 Å
• c: 18.906 ± 0.01 Å
• α: 90°
• β: 91.466 ± 0.007°
• γ: 90°
• Cell volume: 584.3 ± 0.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No