Crystallography Open Database

Information card for entry 7246425

Preview

Coordinates	7246425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 N O
Calculated formula	C20 H19 N O
SMILES	O=C1n2c3ccccc3cc2C(CC1(C)C)c1ccccc1
Title of publication	Synthesis of pyrido[1,2-a]indol-6(7H)-ones via a visible light-photocatalyzed formal (4 + 2) cycloaddition of indole-derived bromides and alkenes or alkynes
Authors of publication	Wei, Minghui; Liu, Chengkou; Wang, Chang-Sheng; Li, Yuguang; Qiu, Peng; Dong, Quanxiao; Yang, Zhao; Fang, Zheng; Guo, Kai
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	6
Pages of publication	2453 - 2457
a	25.949 ± 0.007 Å
b	10.787 ± 0.003 Å
c	11.392 ± 0.003 Å
α	90°
β	101.972 ± 0.008°
γ	90°
Cell volume	3119.4 ± 1.5 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1969
Residual factor for significantly intense reflections	0.0996
Weighted residual factors for significantly intense reflections	0.1989
Weighted residual factors for all reflections included in the refinement	0.2444
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
283365 (current)	2023-05-05	cif/ Updating files of 7246425 Original log message: Adding full bibliography for 7246425.cif.	7246425.cif
281823	2023-03-11	cif/ Adding structures of 7246425 via cif-deposit CGI script.	7246425.cif