Crystallography Open Database

Information card for entry 1543781

Preview

Coordinates	1543781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 Cl2 N O3
Calculated formula	C23 H19 Cl2 N O3
SMILES	Clc1ccc(C(=O)C(OC(=O)c2ccc(Cl)cc2)CN(c2ccccc2)C)cc1
Title of publication	Catalytic Oxidative Carbene Coupling of α-Diazo Carbonyls for the Synthesis of β-Amino Ketones via C(sp(3))-H Functionalization.
Authors of publication	Zhang, Tian-Shu; Hao, Wen-Juan; Wang, Nan-Nan; Li, Guigen; Jiang, Dong-Fang; Tu, Shu-Jiang; Jiang, Bo
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	13
Pages of publication	3078 - 3081
a	32.758 ± 0.003 Å
b	9.5956 ± 0.0008 Å
c	14.9338 ± 0.0011 Å
α	90°
β	116.53 ± 0.002°
γ	90°
Cell volume	4199.9 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1231
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
184871 (current)	2016-08-05	cif/ Adding structures of 1543781 via cif-deposit CGI script.	1543781.cif