Crystallography Open Database

Information card for entry 7247466

Preview

Coordinates	7247466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N3 O
Calculated formula	C23 H21 N3 O
SMILES	n1n(c2NC3=C(C(c4cc(ccc4)C)c2c1)C(=O)CCC3)c1ccccc1
Title of publication	Microwave assisted one-pot access to pyrazolo quinolinone and tetrahydroisoxazolo quinolinone derivatives via T3P®-DMSO catalysed tandem oxidative–condensation reaction
Authors of publication	Gowda, Darshini; Harsha, Kachigere B.; Shalini, Veeresha Gowda; Rangappa, Shobith; Rangappa, Kanchugarakoppal S.
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	40
Pages of publication	28362 - 28370
a	10.7713 ± 0.0016 Å
b	13.241 ± 0.0018 Å
c	13.3621 ± 0.0018 Å
α	90°
β	108.828 ± 0.005°
γ	90°
Cell volume	1803.8 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
286647 (current)	2023-10-04	cif/ Adding structures of 7247466 via cif-deposit CGI script.	7247466.cif