Crystallography Open Database

Information card for entry 2007153

2007152 << 2007153 >> 2007154

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Coordinates	2007153.cif
Original IUCr paper	HTML

Structure parameters

Formula	C4 H3 N3 O4
Calculated formula	C4 H3 N3 O4
Title of publication	Two New Structures of 5-Nitrouracil
Authors of publication	Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Vrcelj, Ranko M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	4
Pages of publication	547 - 550
a	5.873 ± 0.001 Å
b	9.693 ± 0.001 Å
c	10.4561 ± 0.0009 Å
α	90°
β	104.07 ± 0.01°
γ	90°
Cell volume	577.38 ± 0.13 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.0558
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for all reflections	0.0534
Weighted residual factors for significantly intense reflections	0.0506
Goodness-of-fit parameter for significantly intense reflections	1.95
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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