Crystallography Open Database

Information card for entry 7235954

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Coordinates	7235954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 N2 O2 S
Calculated formula	C22 H28 N2 O2 S
Title of publication	Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones
Authors of publication	Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	107
Pages of publication	87888
a	41.799 ± 0.008 Å
b	7.8933 ± 0.0016 Å
c	26.972 ± 0.005 Å
α	90°
β	108.32 ± 0.03°
γ	90°
Cell volume	8448 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1462
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1721
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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