Crystallography Open Database

Information card for entry 7132174

Preview

Coordinates	7132174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H41 N O5 S Si
Calculated formula	C30 H41 N O5 S Si
SMILES	S(=O)(=O)(N([C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](O)C=C1)c1c(C#Cc2ccccc2)cccc1)C
Title of publication	Facile and Stereospecific Synthesis of Diverse β-N-Glycosyl Sulfonamide Scaffolds via Palladium Catalysis
Authors of publication	Zhong, Lei; Wang, Qunliang; Wang, Yujuan; Cheng, Yiyang; Xiong, Yimeng; Peng, Haibo; Zhou, Zhen; He, Yun; Dai, Yuanwei
Journal of publication	Chemical Communications
Year of publication	2023
a	7.5387 ± 0.0003 Å
b	13.4947 ± 0.0006 Å
c	30.0141 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3053.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0799
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
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
286654 (current)	2023-10-05	cif/ Adding structures of 7132174 via cif-deposit CGI script.	7132174.cif