Crystallography Open Database

Information card for entry 7223905

Preview

Coordinates	7223905.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1'-((1-(7-chloroquinolin-4-yl)-1H-1,2,3-triazol-4-yl)methyl)-6b,7,8,9-tetrahydro-6H-spiro[chromeno[3,4-a]pyrrolizine-11,3'-indoline]-2',6(6aH,11aH)-dione (5e)
Formula	C34 H27 Cl3 N6 O3
Calculated formula	C34 H27 Cl3 N6 O3
SMILES	C(Cl)Cl.Clc1cc2c(cc1)c(n1nnc(CN3C(=O)[C@]4(N5[C@@H]([C@@H]6[C@H]4c4c(OC6=O)cccc4)CCC5)c4ccccc34)c1)ccn2.C(Cl)Cl.Clc1cc2c(cc1)c(n1nnc(CN3C(=O)[C@@]4(N5[C@H]([C@H]6[C@@H]4c4c(OC6=O)cccc4)CCC5)c4ccccc34)c1)ccn2
Title of publication	One-pot four component domino strategy for the synthesis of novel spirooxindole pyrrolizine linked 1,2,3-triazoles via stereo- and regioselective [3+2] cycloaddition reaction in acidic Medium.
Authors of publication	M, Rajeswari; ghalawat, Sudesh kumari; Khurana, Jitender
Journal of publication	RSC Adv.
Year of publication	2016
a	17.3297 ± 0.0008 Å
b	9.121 ± 0.0006 Å
c	20.287 ± 0.001 Å
α	90°
β	92.608 ± 0.004°
γ	90°
Cell volume	3203.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1793
Residual factor for significantly intense reflections	0.1009
Weighted residual factors for significantly intense reflections	0.2792
Weighted residual factors for all reflections included in the refinement	0.331
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
174526 (current)	2016-01-16	cif/ Adding structures of 7223905 via cif-deposit CGI script.	7223905.cif