Crystallography Open Database

Information card for entry 7122074

7122073 << 7122074 >> 7122075

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Coordinates	7122074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H13 N O3
Calculated formula	C17 H13 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	10.914 ± 0.005 Å
b	21.762 ± 0.01 Å
c	5.713 ± 0.003 Å
α	90°
β	91.119 ± 0.009°
γ	90°
Cell volume	1356.6 ± 1.1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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