Crystallography Open Database

Information card for entry 4060629

Preview

Coordinates	4060629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H74 Li2 N4 O
Calculated formula	C47 H74 Li2 N4 O
SMILES	[c]12(ccccc1)[Li]13([Li]42([N]25CCCC[C@@H]2[C@H]2C[C@@H](C5)[C@@H]5CCCC[N]45C2)[O]3c2ccccc2)[N]23CCCC[C@@H]2[C@H]2C[C@@H](C3)[C@@H]3CCCC[N]13C2.CCCCC
Title of publication	Crystal Structures of [PhLi·(−)-sparteine]2, [PhOLi·(−)-sparteine]2, and the Mixed Aggregate [PhLi·PhOLi·2(−)-sparteine]
Authors of publication	Carsten Strohmann; Stefan Dilsky; Katja Strohfeldt
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Pages of publication	41
a	9.6939 ± 0.0019 Å
b	16.621 ± 0.003 Å
c	13.931 ± 0.003 Å
α	90°
β	104.16 ± 0.03°
γ	90°
Cell volume	2176.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178495 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/06.	4060629.cif
101221	2014-02-11	cif/4/06/06/ Adding full bibliography for structures 406062[89] and 4060630.	4060629.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4060629.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.	4060629.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4060629.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/'	4060629.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4060629.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.	4060629.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)	4060629.cif