Crystallography Open Database

Information card for entry 7233403

Preview

Coordinates	7233403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 F3 N O
Calculated formula	C19 H14 F3 N O
Title of publication	Two birds with one stone: one-pot simultaneous synthesis of 2,2,2-trifluoroethylphenanthridines and benzochromenones featuring the utilization of the byproduct of Togni's reagent
Authors of publication	Gao, Cai; Li, Bin; Geng, Xueyang; Zhou, Qianting; Zhang, Xinying; Fan, Xuesen
Journal of publication	Green Chemistry
Year of publication	2019
Journal volume	21
Journal issue	18
Pages of publication	5113
a	9.5181 ± 0.0002 Å
b	21.4287 ± 0.0004 Å
c	7.5942 ± 0.0002 Å
α	90°
β	111.404 ± 0.003°
γ	90°
Cell volume	1442.09 ± 0.06 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.242
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224630 (current)	2019-11-08	cif/ Updating files of 7233403 Original log message: Adding full bibliography for 7233403.cif.	7233403.cif
217603	2019-08-20	cif/ Adding structures of 7233403 via cif-deposit CGI script.	7233403.cif