Crystallography Open Database

Information card for entry 2011942

2011941 << 2011942 >> 2011943

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2011942.hkl
Original IUCr paper	HTML

Structure parameters

Common name	Hydronium-5-amino-uracil-6-sulphonate hydrate
Formula	C4 H9 N3 O7 S
Calculated formula	C4 H9 N3 O7 S
SMILES	S(=O)(=O)([O-])C1NC(=O)NC(=O)C=1N.[OH3+].O
Title of publication	Oxonium 5-aminouracil-6-sulfonate hydrate
Authors of publication	Mazumder, G.; De, M.; Mazumder, S.K.; Mukhopadhyay, A.
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	5
Pages of publication	562 - 563
a	10.579 ± 0.002 Å
b	12.104 ± 0.002 Å
c	7.003 ± 0.002 Å
α	90°
β	102.26 ± 0.03°
γ	90°
Cell volume	876.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0532
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	0.922
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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