Crystallography Open Database

Information card for entry 7214307

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Coordinates	7214307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 N2 O S2
Calculated formula	C10 H16 N2 O S2
SMILES	S=C([S-])OCC[n+]1ccn(c1C)C(C)C
Title of publication	Alkoxide-functionalized imidazolium betaines for CO2 activation and catalytic transformation
Authors of publication	Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing
Journal of publication	Green Chemistry
Year of publication	2014
Journal volume	16
Journal issue	4
Pages of publication	2266
a	7.0242 ± 0.0004 Å
b	15.4761 ± 0.0009 Å
c	11.2508 ± 0.0007 Å
α	90°
β	92.082 ± 0.001°
γ	90°
Cell volume	1222.24 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1003
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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