Crystallography Open Database

Information card for entry 1564149

Preview

Coordinates	1564149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 N2 O2 S
Calculated formula	C24 H26 N2 O2 S
SMILES	S(=O)(=O)(N[C@H]1CN([C@H]1c1ccccc1)[C@@H](C)c1ccccc1)c1cccc(c1)C
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	8.54575 ± 0.00008 Å
b	13.85892 ± 0.00012 Å
c	18.16386 ± 0.00014 Å
α	90°
β	90°
γ	90°
Cell volume	2151.23 ± 0.03 Å³
Cell temperature	149.7 ± 0.4 K
Ambient diffraction temperature	149.7 ± 0.4 K
Number of distinct elements	5
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	0.027
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	1564149.cif