Crystallography Open Database

Information card for entry 7133339

Preview

Coordinates	7133339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H26 Cl2 N4 O2
Calculated formula	C37 H26 Cl2 N4 O2
Title of publication	One flask cascade approach to a complex pyrano[2,3-<i>c</i>]pyrazole-pyrazolone hybrid heterocyclic system and its initiatory neurobiological profiling.
Authors of publication	Balasubramani, Alagesan; Sudarshana, K. A.; Kushwaha, Roli; Chakravarty, Sumana; Pabbaraja, Srihari; Mehta, Goverdhan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	64
Pages of publication	8443 - 8446
a	9.724 ± 0.007 Å
b	12.297 ± 0.009 Å
c	13.872 ± 0.01 Å
α	103.225 ± 0.015°
β	106.099 ± 0.014°
γ	98.327 ± 0.016°
Cell volume	1512.5 ± 1.9 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.0927
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
294424 (current)	2024-09-06	cif/ Updating files of 7133337, 7133338, 7133339 Original log message: Adding full bibliography for 7133337--7133339.cif.	7133339.cif
293393	2024-07-13	cif/ Adding structures of 7133337, 7133338, 7133339 via cif-deposit CGI script.	7133339.cif