Crystallography Open Database

Information card for entry 1505879

Preview

Coordinates	1505879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 N O5 Si
Calculated formula	C24 H31 N O5 Si
SMILES	[Si](O[C@]1(OC)[C@@H](N([C@@H]1CCC(=O)OC)C(=O)c1ccccc1)c1ccccc1)(C)(C)C.[Si](O[C@@]1(OC)[C@H](N([C@H]1CCC(=O)OC)C(=O)c1ccccc1)c1ccccc1)(C)(C)C
Title of publication	Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?
Authors of publication	Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	7
Pages of publication	1323 - 1325
a	9.062 ± 0.002 Å
b	11.895 ± 0.003 Å
c	12.311 ± 0.003 Å
α	98.051 ± 0.006°
β	100.63 ± 0.01°
γ	109.27 ± 0.01°
Cell volume	1202 ± 0.5 Å³
Cell temperature	223.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505879.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505879.cif
47816	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505879 via cif-deposit CGI script.	1505879.cif