Crystallography Open Database

Information card for entry 4101235

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Structure parameters

Formula	C15 H15 Cl O4
Calculated formula	C15 H15 Cl O4
SMILES	Cl[C@@]1([C@H](c2ccccc2)C[C@H]2O[C@H]2C1=O)C(=O)OCC
Authors of publication	Overgaard, Jacob
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	7.0168 ± 0.0002 Å
b	8.4454 ± 0.0002 Å
c	24.1473 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1430.96 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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.	4101235.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.	4101235.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4101235.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101235.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.	4101235.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/'	4101235.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4101235.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.	4101235.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)	4101235.cif