Crystallography Open Database

Information card for entry 4020620

4020619 << 4020620 >> 4020621

Preview

Coordinates	4020620.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Paquette 1304
Formula	C31 H39 N O7
Calculated formula	C31 H39 N O7
SMILES	O=N(=O)c1ccc(C(=O)O[C@@]23C(=O)C(=C(OC(C)C)[C@@H]2C[C@@]24CC[C@H]([C@@]2(CC=C34)C)C(C)C)OC(C)C)cc1.O=N(=O)c1ccc(C(=O)O[C@]23C(=O)C(=C(OC(C)C)[C@H]2C[C@]24CC[C@@H]([C@]2(CC=C34)C)C(C)C)OC(C)C)cc1
Title of publication	Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates
Authors of publication	Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	8154 - 8161
a	14.199 ± 0.001 Å
b	15.373 ± 0.001 Å
c	15.704 ± 0.002 Å
α	115.918 ± 0.003°
β	90.979 ± 0.003°
γ	107.241 ± 0.005°
Cell volume	2901.4 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277842 (current)	2022-09-14	cif/4/ Added space group information derived from the space group operation list using the 'cif_filter' program.	4020620.cif
277841	2022-09-14	cif/4/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines.	4020620.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4020620.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4020620.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.	4020620.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/'	4020620.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4020620.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.	4020620.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)	4020620.cif