Crystallography Open Database

Information card for entry 7230611

Preview

Coordinates	7230611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 N4 O4
Calculated formula	C10 H10 N4 O4
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	7.0875 ± 0.0008 Å
b	11.9657 ± 0.0013 Å
c	24.919 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2113.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.358
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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