Crystallography Open Database

Information card for entry 7125729

Preview

Coordinates	7125729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N2 O4
Calculated formula	C24 H20 N2 O4
Title of publication	Divergent C-H activation synthesis of chalcones, quinolones and indoles.
Authors of publication	Shi, Yuesen; Xing, Huimin; Huang, Tianle; Liu, Xuexin; Chen, Jian; Guo, Xiaoyu; Li, Guo-Bo; Wu, Yong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	10
Pages of publication	1585 - 1588
a	16.2065 ± 0.0014 Å
b	8.0264 ± 0.0005 Å
c	17.9481 ± 0.0017 Å
α	90°
β	116.108 ± 0.011°
γ	90°
Cell volume	2096.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.106
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation probe	x-ray
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
248805 (current)	2020-03-05	cif/ Updating files of 7125729, 7125730 Original log message: Adding full bibliography for 7125729--7125730.cif.	7125729.cif
246517	2020-01-04	cif/ Adding structures of 7125729, 7125730 via cif-deposit CGI script.	7125729.cif