Crystallography Open Database

Information card for entry 4021039

Preview

Coordinates	4021039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H25 O3 Se
Calculated formula	C19 H25 O3 Se
SMILES	[Se](C[C@H]1CC[C@H]2[C@@]1(CC[C@H](O)[C@@H]2C(=O)OC)C)c1ccccc1.[Se](C[C@@H]1CC[C@@H]2[C@]1(CC[C@@H](O)[C@H]2C(=O)OC)C)c1ccccc1
Title of publication	Et~2~AlCl-Promoted Asymmetric Phenylseleno Group Transfer Radical Cyclization Reactions of Unsaturated β-Hydroxy Esters
Authors of publication	Dan Yang; Qiang Gao; Bao-Fu Zheng; Nian-Yong Zhu
Journal of publication	Journal of Organic Chemistry
Year of publication	2004
Journal volume	69
Pages of publication	8821 - 8828
a	6.235 ± 0.001 Å
b	20.458 ± 0.004 Å
c	14.051 ± 0.003 Å
α	90°
β	91.57 ± 0.03°
γ	90°
Cell volume	1791.6 ± 0.6 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178388 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/10.	4021039.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4021039.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4021039.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4021039.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4021039.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4021039.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4021039.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4021039.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4021039.cif