Crystallography Open Database

Information card for entry 1554918

Preview

Coordinates	1554918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H27 Br F3 N3 O3
Calculated formula	C35 H27 Br F3 N3 O3
SMILES	Brc1ccc([C@H]2[C@@H](N[C@@]3(C(=O)N(c4ccccc34)Cc3ccccc3)[C@@]32C(=O)C(=O)N(C3)Cc2ccccc2)C(F)(F)F)cc1
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	8.4795 ± 0.0001 Å
b	18.0358 ± 0.0001 Å
c	21.5437 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3294.78 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 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	0.0591
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1554918.cif