Crystallography Open Database

Information card for entry 7243982

Preview

Coordinates	7243982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 F3 N2 O
Calculated formula	C19 H15 F3 N2 O
SMILES	n1c2c(n(c(=O)c1/C(=C/C(F)(F)F)c1ccccc1)CC)cccc2
Title of publication	Graphene oxide-catalyzed trifluoromethylation of alkynes with quinoxalinones and Langlois' reagent
Authors of publication	Li, Hong; Peng, Xiangjun; Nie, Liang; Zhou, Lin; Yang, Ming; Li, Fan; Hu, Jian; Yao, Zhiyang; Liu, Liangxian
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	61
Pages of publication	38667 - 38673
a	12.2095 ± 0.0006 Å
b	12.2629 ± 0.0006 Å
c	12.3037 ± 0.0006 Å
α	90°
β	118.746 ± 0.0017°
γ	90°
Cell volume	1615.14 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.113
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270972 (current)	2021-12-02	cif/ Adding structures of 7243982 via cif-deposit CGI script.	7243982.cif