Crystallography Open Database

Information card for entry 7239761

Preview

Coordinates	7239761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 N4
Calculated formula	C27 H24 N4
Title of publication	Synthesis of new piperazinyl-pyrrolo[1,2-a]quinoxaline derivatives as inhibitors of Candida albicans multidrug transporters by a Buchwald‒Hartwig cross-coupling reaction
Authors of publication	Guillon, Jean; Nim, Shweta; Moreau, Stéphane; Ronga, Luisa; Savrimoutou, Solène; Thivet, Elisabeth; Marchivie, Mathieu; Di Pietro, Attilio; Prasad, Rajendra; Le Borgne, Marc
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	5
Pages of publication	2915 - 2931
a	9.5233 ± 0.0014 Å
b	10.8011 ± 0.0019 Å
c	11.8823 ± 0.0016 Å
α	107.688 ± 0.011°
β	110.089 ± 0.01°
γ	100.552 ± 0.011°
Cell volume	1035.6 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1657
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258022 (current)	2020-10-06	cif/ Updating files of 7239760, 7239761 Original log message: Adding full bibliography for 7239760--7239761.cif.	7239761.cif
246903	2020-01-16	cif/ Adding structures of 7239760, 7239761 via cif-deposit CGI script.	7239761.cif