Crystallography Open Database

Information card for entry 1564151

Preview

Coordinates	1564151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H60 N4 O4 S2 Zn2
Calculated formula	C52 H60 N4 O4 S2 Zn2
SMILES	C(C)[Zn@]12N([C@H]3C[N]1([C@H]3c1ccccc1)[C@@H](C)c1ccccc1)S(c1ccc(C)cc1)(=[O][Zn@@]1(CC)N([C@H]3C[N]1([C@H]3c1ccccc1)[C@@H](C)c1ccccc1)S(c1ccc(C)cc1)(=[O]2)=O)=O
Title of publication	Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines
Authors of publication	Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	511
Pages of publication	119767
a	11.5916 ± 0.0002 Å
b	11.5916 ± 0.0002 Å
c	34.5612 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	4021.67 ± 0.11 Å³
Cell temperature	290.73 ± 0.1 K
Ambient diffraction temperature	290.73 ± 0.1 K
Number of distinct elements	6
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1368
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267546 (current)	2021-07-15	cif/ Adding structures of 1564149, 1564150, 1564151 via cif-deposit CGI script.	1564151.cif