Crystallography Open Database

Information card for entry 7125822

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Coordinates	7125822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 Cl N2
Calculated formula	C16 H13 Cl N2
Title of publication	Copper-mediated tandem ring-opening/cyclization reactions of cyclopropanols with aryldiazonium salts: synthesis of N-arylpyrazoles.
Authors of publication	Liu, Jidan; Xu, Erjie; Jiang, Jinyuan; Huang, Zeng; Zheng, Liyao; Liu, Zhao-Qing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	14
Pages of publication	2202 - 2205
a	19.4385 ± 0.0009 Å
b	9.3554 ± 0.0003 Å
c	17.415 ± 0.0008 Å
α	90°
β	123.697 ± 0.003°
γ	90°
Cell volume	2634.9 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
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	0.0469
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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