Crystallography Open Database

Information card for entry 7123561

Preview

Coordinates	7123561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H21 F N2
Calculated formula	C29 H21 F N2
Title of publication	Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues
Authors of publication	Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong
Journal of publication	Chemical Communications
Year of publication	2019
a	7.0309 ± 0.0005 Å
b	11.6771 ± 0.0007 Å
c	13.3907 ± 0.0007 Å
α	80.602 ± 0.005°
β	83.475 ± 0.005°
γ	88.358 ± 0.005°
Cell volume	1077.54 ± 0.12 Å³
Cell temperature	294.1 ± 0.6 K
Ambient diffraction temperature	294.1 ± 0.6 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.2139
Weighted residual factors for all reflections included in the refinement	0.2441
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
215592 (current)	2019-05-30	cif/ Adding structures of 7123561, 7123562, 7123563, 7123564, 7123565, 7123566, 7123567 via cif-deposit CGI script.	7123561.cif