Crystallography Open Database

Information card for entry 4101017

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Structure parameters

Formula	C29 H30 O5
Calculated formula	C19.3333 H20 O3.33333
SMILES	O=C1CC(CC(=C2C(=C1C)CC(C2)(C(=O)OC)C(=O)OC)C)(c1ccccc1)c1ccccc1
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	8.928 ± 0.002 Å
b	11.884 ± 0.003 Å
c	12.955 ± 0.003 Å
α	95.42 ± 0.01°
β	109.67 ± 0.01°
γ	107.105 ± 0.006°
Cell volume	1208.1 ± 0.5 Å³
Cell temperature	296.1 K
Number of distinct elements	3
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
201982 (current)	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.	4101017.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4101017.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4101017.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101017.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.	4101017.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/'	4101017.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4101017.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.	4101017.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)	4101017.cif