Crystallography Open Database

Information card for entry 7227333

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Coordinates	7227333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Cl N3 O Se
Calculated formula	C14 H16 Cl N3 O Se
Title of publication	Aerobic radical-cascade cycloaddition of isocyanides, selenium and imidamides: facile access to 1,2,4-selenadiazoles under metal-free conditions
Authors of publication	Fang, Yi; Zhu, Zheng-Lin; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun
Journal of publication	Green Chem.
Year of publication	2017
Journal volume	19
Journal issue	7
Pages of publication	1613
a	25.4682 ± 0.0009 Å
b	25.4682 ± 0.0009 Å
c	12.316 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	6918.3 ± 0.4 Å³
Cell temperature	223 ± 0.1 K
Ambient diffraction temperature	223 ± 0.1 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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