Crystallography Open Database

Information card for entry 7156776

Preview

Coordinates	7156776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H9 N O
Calculated formula	C15 H9 N O
Title of publication	Direct access to benzofuro[2,3-b]quinoline and 6H-chromeno[3,4-b]quinoline cores through gold-catalyzed annulation of anthranils with arenoxyethynes and aryl propargyl ethers.
Authors of publication	Patil, Manoj D.; Liu, Rai-Shung
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	18
Pages of publication	4452 - 4455
a	23.736 ± 0.004 Å
b	5.9771 ± 0.0006 Å
c	21.99 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3119.8 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.2074
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.1809
Weighted residual factors for all reflections included in the refinement	0.2602
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225246 (current)	2019-11-08	cif/ Updating files of 7156776 Original log message: Adding full bibliography for 7156776.cif.	7156776.cif
214577	2019-04-10	cif/ Adding structures of 7156776 via cif-deposit CGI script.	7156776.cif