Crystallography Open Database

Information card for entry 1568962

Preview

Coordinates	1568962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H23 N O5 S
Calculated formula	C31 H23 N O5 S
Title of publication	Palladium-catalyzed asymmetric allenylic alkylation: construction of multiple chiral thiochromanone derivatives.
Authors of publication	Liu, Li-Xia; Bai, Yu-Qing; Li, Xiang; Yu, Chang-Bin; Zhou, Yong-Gui
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	20
Pages of publication	5477 - 5482
a	6.8379 ± 0.0003 Å
b	16.3952 ± 0.0005 Å
c	22.7541 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2550.93 ± 0.16 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
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	0.0415
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1568962.html