Crystallography Open Database

Information card for entry 2101519

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Coordinates	2101519.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H4 N4 O6
Calculated formula	C8 H4 N4 O6
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	6.9774 ± 0.0006 Å
b	13.083 ± 0.001 Å
c	20.401 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1862.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0922
Goodness-of-fit parameter for significantly intense reflections	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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