Crystallography Open Database

Information card for entry 7130037

Preview

Coordinates	7130037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 F3 N O
Calculated formula	C22 H14 F3 N O
Title of publication	Enantioselective Pd-Catalyzed Dearomative Reductive Heck and Domino Heck-Suzuki Reactions of 2-CF3-Indoles
Authors of publication	Liang, Ren-Xiao; Chen, Jian-Fei; Huang, Ying-Ying; Yu, Ya-Ping; Zhang, Han-Yue; Song, Yu-Feng; Tsui, Gavin Chit; Jia, Yi-Xia
Journal of publication	Chemical Communications
Year of publication	2022
a	9.7165 ± 0.0013 Å
b	11.402 ± 0.002 Å
c	15.962 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1768.4 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7130037.html