Crystallography Open Database

Information card for entry 4100995

Preview

Coordinates	4100995.cif
External links	ChemSpider

Structure parameters

Formula	C14 H19 I O5
Calculated formula	C14 H19 I O5
SMILES	I\C=C/[C@H](O)C[C@@H](O)[C@@](O)(\C=C\[C@@H]1OC(=O)C=CC1)C
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	5.94 ± 0.01 Å
b	10.564 ± 0.004 Å
c	25.499 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1599 ± 3 Å³
Cell temperature	97.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277856 (current)	2022-09-15	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	4100995.cif
201982	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4100995.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4100995.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.	4100995.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/'	4100995.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4100995.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.	4100995.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)	4100995.cif