Information card for entry 2014787

Structure parameters

• Common name: 5,10-dihyhydroxy-5H,10H-diimidazo[1,2-a:1',2'-d]pyrazine
• Chemical name: 5,10-dihyhydroxy-5H,10H-diimidazo[1,2-a:1',2'-d]pyrazine
• Formula: C8 H8 N4 O2
• Calculated formula: C8 H8 N4 O2
• SMILES: O[C@@H]1n2ccnc2[C@H](n2c1ncc2)O
• Title of publication: 5,10-dihydroxy-5<i>H</i>,10<i>H</i>-diimidazo[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazine
• Authors of publication: Cheruzel, Lionel E.; Mashuta, Mark S.; Buchanan, Robert M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o361 - o362
• a: 6.6274 ± 0.0019 Å
• b: 3.9625 ± 0.0011 Å
• c: 15.26 ± 0.004 Å
• α: 90°
• β: 100.615 ± 0.005°
• γ: 90°
• Cell volume: 393.89 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes