Crystallography Open Database

Information card for entry 7230610

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Structure parameters

Formula	C10 H16 N4 O7
Calculated formula	C10 H16 N4 O7
Title of publication	Multicomponent solids of uracil derivatives – orotic and isoorotic acids
Authors of publication	Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	25
Pages of publication	3490
a	6.988 ± 0.004 Å
b	17.855 ± 0.01 Å
c	11.428 ± 0.006 Å
α	90°
β	103.035 ± 0.011°
γ	90°
Cell volume	1389.1 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1174
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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