Crystallography Open Database

Information card for entry 1506130

Preview

Coordinates	1506130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 N O3
Calculated formula	C24 H31 N O3
SMILES	N1([C@H](O)[C@H](c2ccccc2)[C@@H](C(C)(C)C)c2ccccc12)C(=O)OC(C)(C)C.N1([C@@H](O)[C@@H](c2ccccc2)[C@H](C(C)(C)C)c2ccccc12)C(=O)OC(C)(C)C
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	15.134 ± 0.01 Å
b	25.283 ± 0.016 Å
c	11.758 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	4499 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	37
Hermann-Mauguin space group symbol	C c c 2
Hall space group symbol	C 2 -2c
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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.	1506130.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506130.cif
48021	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506130 via cif-deposit CGI script.	1506130.cif