Crystallography Open Database

Information card for entry 4033328

Preview

Coordinates	4033328.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Unkown
Formula	C17 H11 Cl N2
Calculated formula	C17 H11 Cl N2
SMILES	Clc1ccc(cc1)c1nc2n(c1)ccc1ccccc21
Title of publication	Three Sequential C-N Bond Formations: tert-Butyl Nitrite as a N1 Synthon in a Three Component Reaction Leading to Imidazo[1,2-a]quinolines and Imidazo[2,1-a]isoquinolines.
Authors of publication	Sau, Prasenjit; Rakshit, Amitava; Modi, Anju; Behera, Ahalya; Patel, Bhisma K.
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	2
Pages of publication	1056 - 1064
a	12.3293 ± 0.0006 Å
b	3.9877 ± 0.0002 Å
c	26.5458 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1305.14 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
227560 (current)	2019-11-12	cif/ Updating files of 4033328 Original log message: Adding full bibliography for 4033328.cif.	4033328.cif
204946	2018-01-09	cif/ Adding structures of 4033328 via cif-deposit CGI script.	4033328.cif