Crystallography Open Database

Information card for entry 7157824

Preview

Coordinates	7157824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 F3 N O4 S
Calculated formula	C23 H18 F3 N O4 S
Title of publication	Silver-catalyzed tandem cycloisomerization/hydroarylation reactions and mechanistic investigations for an efficient access to 1,2-dihydroisoquinolines.
Authors of publication	De Abreu, Maxime; Tang, Yue; Brachet, Etienne; Selkti, Mohamed; Michelet, Véronique; Belmont, Philippe
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	5
Pages of publication	1037 - 1046
a	23.825 ± 0.002 Å
b	14.2553 ± 0.0012 Å
c	13.0345 ± 0.0012 Å
α	90°
β	112.464 ± 0.003°
γ	90°
Cell volume	4091 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1366
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
262708 (current)	2021-03-05	cif/ Updating files of 7157823, 7157824 Original log message: Adding full bibliography for 7157823--7157824.cif.	7157824.cif
260034	2020-12-20	cif/ Adding structures of 7157823, 7157824 via cif-deposit CGI script.	7157824.cif