Crystallography Open Database

Information card for entry 7157701

Preview

Coordinates	7157701.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(3R,3'S,4'R,4a'S,9a'R)-1-(tert-Butyl) 3'-ethyl 3''-benzyl-2,4'',9'-trioxo-2''-thioxo-4a',9a'- dihydro-1'H,3'H,9'H-dispiro[indoline-3,2'-xanthene-4',5''-thiazolidine]-1,3'-dicarboxylate
Formula	C37 H34 N2 O8 S2
Calculated formula	C37 H34 N2 O8 S2
Title of publication	An organocatalytic domino Michael addition strategy: construction of bispiro[oxindole-thiazolidinone-hexahydroxanthone]s with five contiguous stereocenters.
Authors of publication	Song, Yong-Xing; Lin, Ye; Yan, Li; Du, Da-Ming
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	37
Pages of publication	7373 - 7378
a	34.292 ± 0.005 Å
b	8.1908 ± 0.0013 Å
c	16.147 ± 0.003 Å
α	90°
β	111.061 ± 0.005°
γ	90°
Cell volume	4232.4 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258946 (current)	2020-11-06	cif/ Updating files of 7157701 Original log message: Adding full bibliography for 7157701.cif.	7157701.cif
256218	2020-09-08	cif/ Adding structures of 7157701 via cif-deposit CGI script.	7157701.cif