Crystallography Open Database

Information card for entry 8106680

Preview

Coordinates	8106680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 N2 O4
Calculated formula	C12 H18 N2 O4
Title of publication	Crystal structure of 2-(8a-methyl-5-oxo-hexahydroimidazo [1,2-a]pyridin-1(5H)-yl)-2-oxoethyl acetate, C12H18N2O4
Authors of publication	Ye, Fei; Li, Juan-Juan; Xu, Zhao-Zheng; Fu, Ying
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	5
Pages of publication	791 - 793
a	7.1591 ± 0.0014 Å
b	10.236 ± 0.002 Å
c	16.713 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1224.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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