Crystallography Open Database

Information card for entry 4514376

Preview

Coordinates	4514376.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(tert-butyl)-3'-(cyclohexanecarbonyl)-1-methyl -2-oxospiro[indoline-3,2'-thiazolidine]-4'-carboxamide
Formula	C23 H33 N3 O4 S
Calculated formula	C23 H33 N3 O4 S
Title of publication	Sequential Multicomponent Strategy for the Diastereoselective Synthesis of Densely Functionalized Spirooxindole-Fused Thiazolidines.
Authors of publication	Rainoldi, Giulia; Begnini, Fabio; de Munnik, Mariska; Lo Presti, Leonardo; Vande Velde, Christophe M. L.; Orru, Romano; Lesma, Giordano; Ruijter, Eelco; Silvani, Alessandra
Journal of publication	ACS combinatorial science
Year of publication	2018
Journal volume	20
Journal issue	2
Pages of publication	98 - 105
a	19.435 ± 0.0003 Å
b	13.112 ± 0.0004 Å
c	9.575 ± 0.0006 Å
α	90°
β	91.632 ± 0.0013°
γ	90°
Cell volume	2439.02 ± 0.17 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
227510 (current)	2019-11-12	cif/ Updating files of 4514375, 4514376 Original log message: Adding full bibliography for 4514375--4514376.cif.	4514376.cif
205647	2018-01-26	cif/ Adding structures of 4514376 via cif-deposit CGI script.	4514376.cif