Crystallography Open Database

Information card for entry 8105115

Preview

Coordinates	8105115.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DMAPH+.UAA-
Formula	C13 H16 N4 O4
Calculated formula	C13 H16 N4 O4
Title of publication	Crystal structure of 4-dimethylamino-pyridin-1-ium uracil-1-acetate, C13H16N4O4
Authors of publication	Zhang, Xiao; Wang, Lin; Liang, Sen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	385 - 386
a	4.7965 ± 0.0012 Å
b	10.053 ± 0.002 Å
c	27.57 ± 0.006 Å
α	90°
β	90.292 ± 0.008°
γ	90°
Cell volume	1329.4 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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 all reflections	0.0523
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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