Information card for entry 2101520

Structure parameters

• Formula: C8 H7 N3 O5
• Calculated formula: C8 H7 N3 O5
• Title of publication: Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor
• Authors of publication: Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 487 - 499
• a: 7.4744 ± 0.0009 Å
• b: 11.9265 ± 0.0009 Å
• c: 10.491 ± 0.0005 Å
• α: 90°
• β: 97.513 ± 0.007°
• γ: 90°
• Cell volume: 927.18 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1431
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No