Crystallography Open Database

Information card for entry 1574792

Preview

Coordinates	1574792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 N O2 Si
Calculated formula	C23 H25 N O2 Si
Title of publication	Intramolecular asymmetric propargylation of esters and imides: C-H functionalisation enables stereocontrolled access to UCS1025A.
Authors of publication	Corcoran, James C.; Zhu, Jin; Semenick, Mason A.; Welser, Anna L.; Wang, Yi-Ming
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	28
Pages of publication	12879 - 12884
a	10.7177 ± 0.0019 Å
b	11.995 ± 0.003 Å
c	15.986 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2055.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0281
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	1.54184 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301537 (current)	2025-08-06	cif/ Updating files of 1574791, 1574792 Original log message: Adding full bibliography for 1574791--1574792.cif.	1574792.cif
299961	2025-06-05	cif/ Adding structures of 1574791, 1574792 via cif-deposit CGI script.	1574792.cif