Crystallography Open Database

Information card for entry 2010479

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Coordinates	2010479.cif
External links	ChemSpider

Structure parameters

Formula	C24 H27 N3 O3
Calculated formula	C24 H27 N3 O3
SMILES	N1(CN(CN(C1)c1c(cccc1)OC)c1c(cccc1)OC)c1c(cccc1)OC
Title of publication	Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane
Authors of publication	Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Pages of publication	246 - 249
a	8.582 ± 0.002 Å
b	8.996 ± 0.002 Å
c	15.357 ± 0.003 Å
α	94.9 ± 0.01°
β	93.27 ± 0.01°
γ	117.59 ± 0.01°
Cell volume	1040 ± 1 Å³
Cell temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.05
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277834 (current)	2022-09-14	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	2010479.cif
201957	2017-10-13	cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	2010479.cif
191977	2017-02-10	cif/2/ (antanas@echidna.ibt.lt) Changing the _atom_site_occupancy data item value from '.' to '1' for all fully occupied atom sites in entries 2001195, 2001620, 2001711, 2001834, 2001901, 2003209, 2003210, 2003355, 2003856, 2004107, 2004584, 2004635, 2004830, 2005050, 2005777, 2006097, 2006230, 2007115, 2007405, 2007420, 2007566, 2007907, 2007988, 2008006, 2008387, 2008586, 2009295, 2009401, 2009405, 2009474, 2009792, 2009955, 2010239, 2010323, 2010479, 2010480, 2010647, 2010753, 2010754, 2010831, 2010832, 2011145, 2011503, 2012300, 2012403, 2014174, 2102151.	2010479.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2010479.cif
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	2010479.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.	2010479.cif
481	2008-11-20	Changing volume number in numerous Acta Cryst. C published CIFs from 'C[0-9]?[0-9]' into '[0-9]?[0-9]'. This makes the COD CIF collection more uniform, and also helps the deposition scripts to spot potential duplicates more accurately. The command for this transformation was: for i in 2/.cif; \ do ( \ if grep -q '_journal_volume C' $i && \ grep -q '_journal_name_full .Acta Cryst' $i; \ then \ echo === $i ===; \ perl -i -pe 's/_journal_volume C/_journal_volume /' $i; \ perl -i -pe \ "s/_journal_name_full ./_journal_name_full 'Acta Crystallographica Section C'/" $i ; \ fi \ ) done	2010479.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/'	2010479.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2010479.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.	2010479.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)	2010479.cif