Crystallography Open Database

Information card for entry 7157519

Preview

Coordinates	7157519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H29 N O S
Calculated formula	C32 H29 N O S
Title of publication	Palladium catalyzed asymmetric allylic alkylation of isoquinolinedione derivatives in the preparation of quaternary carbon stereocenters.
Authors of publication	Li, Ying-Xian; Cheng, Cheng; Tang, Lei; Yang, Yuan-Yong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	24
Pages of publication	4551 - 4555
a	9.25182 ± 0.00019 Å
b	14.2225 ± 0.0003 Å
c	10.38203 ± 0.00019 Å
α	90°
β	106.464 ± 0.002°
γ	90°
Cell volume	1310.1 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253968 (current)	2020-07-06	cif/ Updating files of 7157519 Original log message: Adding full bibliography for 7157519.cif.	7157519.cif
252430	2020-05-28	cif/ Adding structures of 7157519 via cif-deposit CGI script.	7157519.cif