Crystallography Open Database

Information card for entry 1573302

Preview

Coordinates	1573302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 N O2
Calculated formula	C28 H21 N O2
Title of publication	Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.
Authors of publication	He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	2
Pages of publication	834 - 839
a	6.22984 ± 0.00013 Å
b	15.4298 ± 0.0004 Å
c	22.0803 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2122.47 ± 0.09 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 K
Number of distinct elements	4
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	0.0357
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
298123 (current)	2025-03-04	cif/ Updating files of 1573300, 1573301, 1573302 Original log message: Adding full bibliography for 1573300--1573302.cif.	1573302.cif
296125	2024-11-27	cif/ Adding structures of 1573300, 1573301, 1573302 via cif-deposit CGI script.	1573302.cif