Crystallography Open Database

Information card for entry 7122075

7122074 << 7122075 >> 7122076

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Coordinates	7122075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 Cl N O3
Calculated formula	C17 H12 Cl N O3
Title of publication	A domino reaction of 2-isocyanophenyloxyacrylate and aryne to synthesize arenes with vicinal olefin and benzoxazole.
Authors of publication	Su, Shikuan; Li, Jianxiong; Sun, Mingming; Zhao, Hongbin; Chen, Yali; Li, Jian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	69
Pages of publication	9611 - 9614
a	10.986 ± 0.007 Å
b	11.502 ± 0.008 Å
c	13.713 ± 0.009 Å
α	111.941 ± 0.008°
β	101.876 ± 0.007°
γ	104.589 ± 0.008°
Cell volume	1466.1 ± 1.7 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	0.1255
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.2322
Weighted residual factors for all reflections included in the refinement	0.2791
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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