Crystallography Open Database

Information card for entry 7242054

7242053 << 7242054 >> 7242055

Preview

Coordinates	7242054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N O3
Calculated formula	C24 H19 N O3
SMILES	c1cccc2c1c(c(c(=O)o2)C1c2ccccc2CCN1c1ccccc1)O
Title of publication	An oxidant- and catalyst-free electrooxidative cross-coupling approach to 3-tetrahydroisoquinoline substituted coumarins
Authors of publication	Kong, Yanyan; Kim, Jung Keun; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Wu, Yangjie
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	3
Pages of publication	1274 - 1279
a	9.099 ± 0.0006 Å
b	12.6543 ± 0.0009 Å
c	17.4953 ± 0.0014 Å
α	69.761 ± 0.007°
β	87.356 ± 0.006°
γ	78.198 ± 0.006°
Cell volume	1849.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262666 (current)	2021-03-05	cif/ Updating files of 7242054, 7242055 Original log message: Adding full bibliography for 7242054--7242055.cif.	7242054.cif
260874	2021-01-09	cif/ Adding structures of 7242054, 7242055 via cif-deposit CGI script.	7242054.cif