Crystallography Open Database

Information card for entry 1504500

Preview

Coordinates	1504500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 N2
Calculated formula	C19 H24 N2
SMILES	NC(=N\c1c(cccc1C(C)C)C(C)C)/c1ccccc1
Title of publication	Addition of amines to nitriles catalyzed by ytterbium amides: an efficient one-step synthesis of monosubstituted N-arylamidines.
Authors of publication	Wang, Junfeng; Xu, Fan; Cai, Tao; Shen, Qi
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	3
Pages of publication	445 - 448
a	11.3234 ± 0.0016 Å
b	14.786 ± 0.002 Å
c	10.2105 ± 0.0015 Å
α	90°
β	93.313 ± 0.004°
γ	90°
Cell volume	1706.7 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
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	0.0822
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1784
Weighted residual factors for all reflections included in the refinement	0.1852
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504500.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504500.cif
42117	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504500 via cif-deposit CGI script.	1504500.cif