Crystallography Open Database

Information card for entry 7156788

Preview

Coordinates	7156788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H17 Cl O2
Calculated formula	C24 H17 Cl O2
Title of publication	An efficient light on-off one-pot method for the synthesis of 3-styryl coumarins from aryl alkynoates.
Authors of publication	Kong, Hongjun; Li, Qingrui; Yin, Yunnian; Huang, Mengmeng; Kim, Jung Keun; Zhu, Yu; Li, Yabo; Wu, Yangjie
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	18
Pages of publication	4621 - 4628
a	12.6928 ± 0.0004 Å
b	7.034 ± 0.0003 Å
c	21.7643 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1943.14 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.2076
Weighted residual factors for all reflections included in the refinement	0.2326
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225244 (current)	2019-11-08	cif/ Updating files of 7156785, 7156786, 7156787, 7156788, 7156789, 7156790 Original log message: Adding full bibliography for 7156785--7156790.cif.	7156788.cif
214701	2019-04-19	cif/ Adding structures of 7156785, 7156786, 7156787, 7156788, 7156789, 7156790 via cif-deposit CGI script.	7156788.cif