Crystallography Open Database

Information card for entry 2009944

2009943 << 2009944 >> 2009945

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Coordinates	2009944.cif
Original IUCr paper	HTML

Structure parameters

Formula	C7 H11 N O4 S
Calculated formula	C7 H11 N O4 S
Title of publication	Monohydrates of two isomers of aminotoluenesulfonic acid
Authors of publication	Shubnell, A. J.; Squattrito, P. J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1994
Journal volume	50
Journal issue	8
Pages of publication	1296 - 1299
a	11.365 ± 0.003 Å
b	9.142 ± 0.002 Å
c	17.671 ± 0.001 Å
α	90°
β	96.93 ± 0.01°
γ	90°
Cell volume	1822.6 ± 0.6 Å³
Cell temperature	296 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.038
Goodness-of-fit parameter for significantly intense reflections	2.65
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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