Crystallography Open Database

Information card for entry 7157488

Preview

Coordinates	7157488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Cl F12 N O3
Calculated formula	C16 H10 Cl F12 N O3
Title of publication	Electrochemically enabled functionalization of indoles or anilines for the synthesis of hexafluoroisopropoxy indole and aniline derivatives.
Authors of publication	Mo, Zu-Yu; Wang, Xin-Yu; Zhang, Yu-Zhen; Yang, Li; Tang, Hai-Tao; Pan, Ying-Ming
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	20
Pages of publication	3832 - 3837
a	7.7099 ± 0.0006 Å
b	16.5285 ± 0.0015 Å
c	15.8165 ± 0.0016 Å
α	90°
β	94.189 ± 0.007°
γ	90°
Cell volume	2010.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0717
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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

Version history

Revision	Date	Message	Files
252918 (current)	2020-06-05	cif/ Updating files of 7157488 Original log message: Adding full bibliography for 7157488.cif.	7157488.cif
251529	2020-05-05	cif/ Adding structures of 7157488 via cif-deposit CGI script.	7157488.cif