Crystallography Open Database

Information card for entry 1562378

Preview

Coordinates	1562378.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-Butyl-2-phenyl-1-tosyl-4-((triisopropylsilyl)oxy)-1,2-dihydrobenzofuro [3,2-b]pyridine
Formula	C37 H47 N O4 S Si
Calculated formula	C37 H47 N O4 S Si
Title of publication	An Unusual Formal Migrative Cycloaddition of Aurone-derived Azadienes: Synthesis of Benzofuran-fused Nitrogen Heterocycles
Authors of publication	Feng, Qiang; Wu, An; Zhang, Xinhao; Song, Lijuan; Sun, Jianwei
Journal of publication	Chemical Science
Year of publication	2021
a	16.6691 ± 0.001 Å
b	10.8205 ± 0.0005 Å
c	20.3333 ± 0.0013 Å
α	90°
β	112.297 ± 0.007°
γ	90°
Cell volume	3393.3 ± 0.4 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation probe	x-ray
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
264978 (current)	2021-05-06	cif/ Adding structures of 1562378, 1562379, 1562380 via cif-deposit CGI script.	1562378.cif