Crystallography Open Database

Information card for entry 7156743

Preview

Coordinates	7156743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Br N O
Calculated formula	C22 H16 Br N O
Title of publication	Copper and palladium-catalyzed sequential reactions: one-pot synthesis of isoindolo[2,1-b]isoquinolin-7(5H)-ones.
Authors of publication	Saini, Hitesh Kumar; Dhiman, Shiv; Nandwana, Nitesh Kumar; Krishnan, Rangan; Kumar, Anil
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	17
Pages of publication	4281 - 4290
a	8.7437 ± 0.0004 Å
b	9.0981 ± 0.0005 Å
c	11.3532 ± 0.0006 Å
α	89.931 ± 0.004°
β	69.876 ± 0.005°
γ	83.515 ± 0.004°
Cell volume	841.91 ± 0.08 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
225132 (current)	2019-11-08	cif/ Updating files of 7156743, 7156744, 7156745 Original log message: Adding full bibliography for 7156743--7156745.cif.	7156743.cif
214367	2019-03-27	cif/ Adding structures of 7156743, 7156744, 7156745 via cif-deposit CGI script.	7156743.cif