Crystallography Open Database

Information card for entry 7235955

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Structure parameters

Formula	C42 H46 N4 O4 S2
Calculated formula	C42 H46 N4 O4 S2
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	20.261 ± 0.004 Å
b	46.298 ± 0.009 Å
c	8.3561 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	7838 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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