Crystallography Open Database

Information card for entry 7231435

Preview

Coordinates	7231435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 F3 N O5
Calculated formula	C34 H28 F3 N O5
Title of publication	Rh(iii)-catalyzed synthesis of tetracyclic isoquinolinium salts via C‒H activation and [4+2] annulation of 1-phenyl-3,4-dihydroisoquinolines and alkynes in ethanol
Authors of publication	Dang, Xinxin; He, Yu; Liu, Yingtian; Chen, Xuehong; Li, Jun-Long; Zhou, Xian-Li; Jiang, Hezhong; Li, Jiahong
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	52
Pages of publication	30050
a	10.8707 ± 0.0006 Å
b	12.3194 ± 0.0007 Å
c	13.1341 ± 0.0008 Å
α	87.958 ± 0.005°
β	74.654 ± 0.005°
γ	70.533 ± 0.005°
Cell volume	1596.57 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.187
Weighted residual factors for all reflections included in the refinement	0.2164
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210128 (current)	2018-08-25	cif/ Adding structures of 7231435 via cif-deposit CGI script.	7231435.cif