Crystallography Open Database

Information card for entry 7058297

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Coordinates	7058297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Br Cl N2 O Se
Calculated formula	C22 H14 Br Cl N2 O Se
Title of publication	New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives
Authors of publication	Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	18
Pages of publication	7035
a	11.3066 ± 0.0007 Å
b	11.8464 ± 0.0008 Å
c	15.0693 ± 0.001 Å
α	90°
β	93.197 ± 0.007°
γ	90°
Cell volume	2015.3 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
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	0.0339
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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