Crystallography Open Database

Information card for entry 4061572

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Structure parameters

Formula	C30 H34 P2 S2
Calculated formula	C30 H34 P2 S2
SMILES	[P@]12(=S)[C@@H](CC[C@H]([P@]3(=S)C(=C(C(=C3c3ccccc3)C)C)C1=C(C(=C2c1ccccc1)C)C)C)C
Journal of publication	Organometallics
Year of publication	2005
a	7.5069 ± 0.0007 Å
b	8.4348 ± 0.0008 Å
c	11.3734 ± 0.001 Å
α	78.136 ± 0.007°
β	83.429 ± 0.007°
γ	82.062 ± 0.008°
Cell volume	695.26 ± 0.11 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	1
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
277847 (current)	2022-09-15	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	4061572.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.	4061572.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4061572.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061572.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.	4061572.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/'	4061572.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061572.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.	4061572.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)	4061572.cif