Crystallography Open Database

Information card for entry 1506131

Preview

Coordinates	1506131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 N O3
Calculated formula	C24 H31 N O3
SMILES	[C@@H]1(O)[C@@H](c2ccccc2)[C@H](C(C)(C)C)c2ccccc2N1C(=O)OC(C)(C)C.[C@H]1(O)[C@H](c2ccccc2)[C@@H](C(C)(C)C)c2ccccc2N1C(=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	21.57 ± 0.005 Å
b	8.3502 ± 0.0019 Å
c	23.271 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4191.4 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	1506131.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506131.cif
48022	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506131 via cif-deposit CGI script.	1506131.cif