Crystallography Open Database

Information card for entry 1506132

Preview

Coordinates	1506132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 N O
Calculated formula	C19 H21 N O
SMILES	c12c(cccc1)[C@@H]([C@H](C(=O)N2)c1ccccc1)CCCC.c12c(cccc1)[C@H]([C@@H](C(=O)N2)c1ccccc1)CCCC
Title of publication	Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.
Authors of publication	Hogan, Anne-Marie L; O'Shea, Donal F
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	17
Pages of publication	3769 - 3772
a	12.903 ± 0.004 Å
b	15.659 ± 0.005 Å
c	17.267 ± 0.006 Å
α	98.252 ± 0.006°
β	103.842 ± 0.006°
γ	108.822 ± 0.005°
Cell volume	3112.5 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
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.	1506132.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506132.cif
48023	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506132 via cif-deposit CGI script.	1506132.cif