Crystallography Open Database

Information card for entry 7156775

Preview

Coordinates	7156775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 O3
Calculated formula	C19 H14 O3
Title of publication	Synthesis of 4-styrylcoumarins via FeCl<sub>3</sub>-promoted cascade reactions of propargylamines with β-keto esters.
Authors of publication	Yan, Li-Qin; Cai, Xiaoting; He, Xinwei; Wang, Hui; Xie, Mengqing; Zuo, Youpeng; Shang, Yongjia
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	16
Pages of publication	4005 - 4013
a	8.5355 ± 0.0003 Å
b	9.9613 ± 0.0003 Å
c	17.9321 ± 0.0005 Å
α	90°
β	100.199 ± 0.002°
γ	90°
Cell volume	1500.58 ± 0.08 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
225166 (current)	2019-11-08	cif/ Updating files of 7156775 Original log message: Adding full bibliography for 7156775.cif.	7156775.cif
214485	2019-04-04	cif/ Adding structures of 7156775 via cif-deposit CGI script.	7156775.cif