Crystallography Open Database

Information card for entry 7232536

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Structure parameters

Formula	C16 H22 N6 O7 S
Calculated formula	C16 H22 N6 O7 S
Title of publication	Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process
Authors of publication	Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	17
Pages of publication	2790
a	7.8533 ± 0.0016 Å
b	20.401 ± 0.004 Å
c	25.859 ± 0.005 Å
α	85.55 ± 0.03°
β	83.76 ± 0.03°
γ	85.07 ± 0.03°
Cell volume	4093.5 ± 1.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1316
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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