Crystallography Open Database

Information card for entry 1564150

Preview

Coordinates	1564150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 N4 O4 S2 Zn2
Calculated formula	C44 H60 N4 O4 S2 Zn2
SMILES	[Zn@@]12([O]=[S@@](=O)(N3[Zn@]([O]=[S@@](=O)(N1[C@H]1C[N]2([C@H]1c1ccccc1)[C@@H](C)c1ccccc1)C(C)C)([N]1(C[C@H]3[C@@H]1c1ccccc1)[C@@H](C)c1ccccc1)CC)C(C)C)CC
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	9.27344 ± 0.0001 Å
b	43.5007 ± 0.0005 Å
c	10.82622 ± 0.00014 Å
α	90°
β	90°
γ	90°
Cell volume	4367.31 ± 0.09 Å³
Cell temperature	290.69 ± 0.1 K
Ambient diffraction temperature	290.69 ± 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	0.037
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	1564150.cif