Crystallography Open Database

Information card for entry 1542924

Preview

Coordinates	1542924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 N2 O4
Calculated formula	C18 H20 N2 O4
SMILES	N(OCc1ccccc1)C(=O)C(NC(=O)C)Cc1ccccc1O
Title of publication	Rhodium(III) Catalyzed Carboamination of Alkenes Triggered by C-H Activation of N-Phenoxyacetamides under Redox-Neutral Conditions.
Authors of publication	Hu, Zhiyong; Tong, Xiaofeng; Liu, Guixia
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	7
Pages of publication	1702 - 1705
a	16.557 ± 0.002 Å
b	10.8619 ± 0.0015 Å
c	9.5381 ± 0.0013 Å
α	90°
β	99.792 ± 0.003°
γ	90°
Cell volume	1690.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.106
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
181445 (current)	2016-04-04	cif/ Updating files of 1542924 Original log message: Adding full bibliography for 1542924.cif.	1542924.cif
179281	2016-03-23	cif/ Adding structures of 1542924 via cif-deposit CGI script.	1542924.cif