Crystallography Open Database

Information card for entry 7247827

Preview

Coordinates	7247827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H40 N2 O4 S Si
Calculated formula	C29 H40 N2 O4 S Si
Title of publication	Unexpected stereoselective CuBr2-catalyzed cascade reaction of 2-ethynylanilines with silylynamides: facile and atom-economical access to N-vinylsilylindoles
Authors of publication	Li, Zengzeng; Lu, Fei; Xu, Qingchun; Liu, Gang; Zhao, Ximei; Wang, Guanghui
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	1
Pages of publication	259 - 263
a	12.2243 ± 0.0004 Å
b	10.5039 ± 0.0003 Å
c	23.3691 ± 0.0008 Å
α	90°
β	91.697 ± 0.003°
γ	90°
Cell volume	2999.34 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1835
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289570 (current)	2024-02-04	cif/ Updating files of 7247827 Original log message: Adding full bibliography for 7247827.cif.	7247827.cif
288025	2023-12-05	cif/ Adding structures of 7247827 via cif-deposit CGI script.	7247827.cif