Crystallography Open Database

Information card for entry 1571631

Preview

Coordinates	1571631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 N O3 S
Calculated formula	C17 H21 N O3 S
Title of publication	Palladium-catalyzed selective C-C bond cleavage of keto-vinylidenecyclopropanes: construction of structurally rich dihydrofurans and tetrahydrofurans.
Authors of publication	Ning, Chao; Yu, Ziqi; Shi, Min; Wei, Yin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	24
Pages of publication	9192 - 9200
a	10.3144 ± 0.0003 Å
b	12.2204 ± 0.0004 Å
c	13.0932 ± 0.0004 Å
α	90°
β	92.946 ± 0.001°
γ	90°
Cell volume	1648.17 ± 0.09 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
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	0.0579
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292859 (current)	2024-07-05	cif/ Updating files of 1571631, 1571632 Original log message: Adding full bibliography for 1571631--1571632.cif.	1571631.cif
291846	2024-05-15	cif/ Adding structures of 1571631, 1571632 via cif-deposit CGI script.	1571631.cif