Crystallography Open Database

Information card for entry 7158075

Preview

Coordinates	7158075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 Cl N O6 S
Calculated formula	C32 H26 Cl N O6 S
SMILES	Clc1ccc(cc1)C(=O)OCC[C@]1(N2S(=O)(=O)Oc3c([C@]2(OC1)/C=C/c1ccccc1)cccc3)c1ccccc1
Title of publication	Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.
Authors of publication	Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	22
Pages of publication	4877 - 4881
a	9.734 ± 0.0019 Å
b	11.144 ± 0.002 Å
c	25.686 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2786.3 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 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	0.0663
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267235 (current)	2021-07-05	cif/ Updating files of 7158073, 7158074, 7158075 Original log message: Adding full bibliography for 7158073--7158075.cif.	7158075.cif
265082	2021-05-11	cif/ Adding structures of 7158073, 7158074, 7158075 via cif-deposit CGI script.	7158075.cif