Crystallography Open Database

Information card for entry 2211746

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Structure parameters

Chemical name	Diethylammonium hydrogen oxalate
Formula	C6 H13 N O4
Calculated formula	C6 H13 N O4
SMILES	OC(=O)C(=O)[O-].[NH2+](CC)CC
Title of publication	Diethylammonium hydrogen oxalate
Authors of publication	Ejsmont, Krzysztof
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	1
Pages of publication	o107 - o109
a	7.0527 ± 0.0004 Å
b	5.5465 ± 0.0002 Å
c	14.0317 ± 0.0006 Å
α	90°
β	121.544 ± 0.004°
γ	90°
Cell volume	467.78 ± 0.04 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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