Crystallography Open Database

Information card for entry 7059735

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Coordinates	7059735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H10 Cl N3 O2
Calculated formula	C17 H10 Cl N3 O2
Title of publication	Copper-catalyzed cascade three-component azide‒alkyne cycloaddition/condensation/transesterification: easy access to 3-triazolylcoumarins
Authors of publication	He, Xinwei; Li, Ruxue; Xie, Mengqing; Duan, Jiahui; Tang, Qiang; Shang, Yongjia
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	28
Pages of publication	12266 - 12273
a	6.096 ± 0.0007 Å
b	7.6004 ± 0.0009 Å
c	15.3686 ± 0.0018 Å
α	85.08 ± 0.001°
β	87.562 ± 0.001°
γ	78.958 ± 0.001°
Cell volume	696.05 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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