Crystallography Open Database

Information card for entry 1505881

Preview

Coordinates	1505881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N O4
Calculated formula	C19 H17 N O4
SMILES	O=C1C[C@@H](N([C@@H]1c1ccccc1)C(=O)c1ccccc1)C(=O)OC.O=C1C[C@H](N([C@H]1c1ccccc1)C(=O)c1ccccc1)C(=O)OC
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	12.051 ± 0.002 Å
b	20.06 ± 0.004 Å
c	11.469 ± 0.002 Å
α	90°
β	35.698 ± 0.006°
γ	90°
Cell volume	1617.8 ± 0.6 Å³
Cell temperature	223.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.079
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.	1505881.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505881.cif
47818	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505881 via cif-deposit CGI script.	1505881.cif