Crystallography Open Database

Information card for entry 7157539

Preview

Coordinates	7157539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H16 F3 N3 O5
Calculated formula	C25 H16 F3 N3 O5
Title of publication	One-pot synthesis of pyrimidine linked naphthoquinone-fused pyrroles by iodine-mediated multicomponent reactions.
Authors of publication	Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	26
Pages of publication	4997 - 5007
a	12.391 ± 0.007 Å
b	8.165 ± 0.005 Å
c	21.573 ± 0.012 Å
α	90°
β	94.106 ± 0.014°
γ	90°
Cell volume	2177 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.2596
Residual factor for significantly intense reflections	0.0973
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.224
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
255093 (current)	2020-08-06	cif/ Updating files of 7157538, 7157539 Original log message: Adding full bibliography for 7157538--7157539.cif.	7157539.cif
253086	2020-06-11	cif/ Adding structures of 7157538, 7157539 via cif-deposit CGI script.	7157539.cif