Crystallography Open Database

Information card for entry 1554919

Preview

Coordinates	1554919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H31 Cl2 F4 N2 O3
Calculated formula	C40 H32 Cl2 F3 N3 O3
SMILES	[C@@]12([C@]3([C@H]([C@H](C(F)(F)F)N2)c2cccc4ccccc24)CN(C(=O)C3=O)Cc2ccccc2)c2c(cccc2)N(C1=O)Cc1ccccc1.C(Cl)Cl
Title of publication	Diastereodivergent construction of bispiro[oxindole-bi-pyrrolidine]s with four consecutive stereocenters via asymmetric [3 + 2] cycloaddition of 2,3-dioxopyrrolidines using identical catalysts
Authors of publication	Zhao, Xiaoyun; Xiong, Jiale; An, Junkai; Yu, Jicong; Zhu, Liping; Feng, Xing; Jiang, Xianxing
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	12
Pages of publication	1989
a	11.9726 ± 0.0002 Å
b	16.0021 ± 0.0003 Å
c	18.2529 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3497.01 ± 0.12 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238208 (current)	2019-11-24	cif/ Adding structures of 1554918, 1554919 via cif-deposit CGI script.	1554919.cif