Crystallography Open Database

Information card for entry 7245737

Preview

Coordinates	7245737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 N2 O2
Calculated formula	C22 H28 N2 O2
Title of publication	Facile synthesis of isoquinolines and isoquinoline N-oxides via a copper-catalyzed intramolecular cyclization in water
Authors of publication	Zhang, Lujun; Xiong, Wenfang; Yao, Biao; Liu, Haitao; Li, Meng; Qin, Yu; Yu, Yujian; Li, Xu; Chen, Meng; Wu, Wanqing; Li, Jianxiao; Wang, Jinliang; Jiang, Huanfeng
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	47
Pages of publication	30248 - 30252
a	22.8147 ± 0.0012 Å
b	22.8147 ± 0.0012 Å
c	10.5217 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	4742.9 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1559
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
278851 (current)	2022-10-28	cif/ Adding structures of 7245736, 7245737 via cif-deposit CGI script.	7245737.cif