Crystallography Open Database

Information card for entry 7123973

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Coordinates	7123973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 N4 O4
Calculated formula	C17 H14 N4 O4
Title of publication	DABCO-Mediated [3 + 3] Cycloaddition of Azomethine Imines with in Situ Generated Nitrile Oxides from Hydroximoyl Chlorides
Authors of publication	Fang, Qing-Yun; Jin, Hai-shan; Wang, Ru-Bing; Zhao, Li-Ming
Journal of publication	Chemical Communications
Year of publication	2019
a	12.2898 ± 0.0013 Å
b	11.4074 ± 0.0013 Å
c	22.636 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3173.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1541
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	0.924
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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