Crystallography Open Database

Information card for entry 1555155

Preview

Coordinates	1555155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 Cl N2 O P
Calculated formula	C19 H14 Cl N2 O P
SMILES	P(=O)(c1n2c(nc1Cl)cccc2)(c1ccccc1)c1ccccc1
Title of publication	Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines.
Authors of publication	Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	16
Pages of publication	3998 - 4001
a	11.949 ± 0.002 Å
b	8.5662 ± 0.0017 Å
c	17.479 ± 0.003 Å
α	90°
β	103.621 ± 0.002°
γ	90°
Cell volume	1738.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0374
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
238353 (current)	2019-11-24	cif/ Adding structures of 1555155 via cif-deposit CGI script.	1555155.cif