Crystallography Open Database

Information card for entry 1549848

Preview

Coordinates	1549848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 Br N O4
Calculated formula	C23 H22 Br N O4
SMILES	Brc1ccc(cc1)NC[C@](C(=O)c1ccc(cc1)OC)(c1ccc(cc1)OC)O
Title of publication	Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.
Authors of publication	Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	42
Pages of publication	8094 - 8098
a	8.3737 ± 0.0003 Å
b	10.0127 ± 0.0004 Å
c	24.658 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2067.41 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0453
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
228696 (current)	2019-11-17	cif/ Updating files of 1549848, 1549849 Original log message: Adding full bibliography for 1549848--1549849.cif.	1549848.cif
210183	2018-08-28	cif/ Adding structures of 1549848, 1549849 via cif-deposit CGI script.	1549848.cif