Crystallography Open Database

Information card for entry 7245975

Preview

Coordinates	7245975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 F3 N2 O3
Calculated formula	C27 H19 F3 N2 O3
SMILES	c12ccccc1C(=O)C1(C2=O)[C@@H]([C@@H](C(F)(F)F)N[C@@]21c1ccccc1N(C2=O)C)c1ccccc1.c12ccccc1C(=O)C1(C2=O)[C@H]([C@H](C(F)(F)F)N[C@]21c1ccccc1N(C2=O)C)c1ccccc1
Title of publication	DABCO-promoted highly diastereo- and regioselective construction of C-3 functionalized spirooxindoles via [3 + 2] cycloaddition of 2-aryl/heteroarylidene-1H-indene-1,3(2H)-diones with N-2,2,2-trifluoroethylisatin ketimines at ambient conditions
Authors of publication	Prasad, Madavi S.; Bharani, Sankar; Sharief, Syed Mastan; Ravi, Mudavath; Sivaprakash, Murugesan; Borah, Biplob; Chowhan, L. Raju
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	54
Pages of publication	34941 - 34945
a	12.0771 ± 0.0004 Å
b	19.0403 ± 0.0007 Å
c	20.1521 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4634 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1227
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1421
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
279757 (current)	2022-12-07	cif/ Adding structures of 7245975 via cif-deposit CGI script.	7245975.cif