Crystallography Open Database

Information card for entry 7100557

Preview

Coordinates	7100557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 B Cl2 N2
Calculated formula	C19 H27 B Cl2 N2
SMILES	C1(c2ccccc2)=[N](C2CCCCC2)[B](N1C1CCCCC1)(Cl)Cl
Journal of publication	Chemical Communications
Year of publication	2005
a	10.355 ± 0.005 Å
b	11.914 ± 0.005 Å
c	16.592 ± 0.005 Å
α	73.933 ± 0.005°
β	83.657 ± 0.005°
γ	80.431 ± 0.005°
Cell volume	1935.1 ± 1.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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
208161 (current)	2018-06-07	cif/7/ Updating space group information in entries 7003375, 7020762, 7100557, 7100808, 7101046, 7101291, 7101295, 7101296, 7101525, 7112513.	7100557.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7100557.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7100557.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.	7100557.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/'	7100557.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7100557.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.	7100557.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)	7100557.cif