Information card for entry 2212192

Structure parameters

• Chemical name: Diimidazo[1,5-a;1',5'-d]pyrazine-5,10-dione
• Formula: C8 H4 N4 O2
• Calculated formula: C8 H4 N4 O2
• SMILES: O=C1c2cncn2C(=O)c2n1cnc2
• Title of publication: Diimidazo[1,5-<i>a</i>;1',5'-<i>d</i>]pyrazine-5,10-dione
• Authors of publication: Castillejo Merchán, Alejandro; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o636 - o637
• a: 5.4047 ± 0.0019 Å
• b: 6.9777 ± 0.0018 Å
• c: 9.678 ± 0.004 Å
• α: 90°
• β: 96.23 ± 0.03°
• γ: 90°
• Cell volume: 362.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes