Crystallography Open Database

Information card for entry 4100345

Preview

Coordinates	4100345.cif
External links	ChemSpider

Structure parameters

Formula	C31 H29 N
Calculated formula	C31 H29 N
SMILES	N(C(C)(C)C)C1=C(c2ccccc2)C(c2c1ccc(c2)c1ccccc1)c1ccccc1
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	10.0483 ± 0.0009 Å
b	24.824 ± 0.002 Å
c	9.4468 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2356.4 ± 0.7 Å³
Cell temperature	150.2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
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.	4100345.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4100345.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4100345.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.	4100345.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/'	4100345.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4100345.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.	4100345.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)	4100345.cif