Crystallography Open Database

Information card for entry 7157352

Preview

Coordinates	7157352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H10 Cl N O3
Calculated formula	C17 H10 Cl N O3
Title of publication	Access to pyrrolo[2,1-a]isoindolediones from oxime acetates and ninhydrin via Cu(I)-mediated domino annulations
Authors of publication	Bathula, Surendar Reddy; upare, atul; Chouhan, Neeraj Kumar; Andhavaram, Ramaraju; Balasubramanian, Sridhar
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2020
a	16.2453 ± 0.0004 Å
b	8.9674 ± 0.0002 Å
c	9.7074 ± 0.0002 Å
α	90°
β	93.2014 ± 0.001°
γ	90°
Cell volume	1411.95 ± 0.06 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Hermann-Mauguin symmetry space group	P 1 21/c 1
Hall symmetry space group	-P 2ybc
Residual factor for all reflections	0.1071
Residual factor for observed reflections	0.062
Weighted residual factors for the observed reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for observed reflections	1.441
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
248201 (current)	2020-02-15	cif/ Adding structures of 7157352 via cif-deposit CGI script.	7157352.cif