Crystallography Open Database

Information card for entry 8101066

Preview

Coordinates	8101066.cif

Structure parameters

Common name	calix[4]arene-bpy-OCH2CH2OCH3
Formula	C128 H160 Cl8 N4 O12
Calculated formula	C127.996 H160 Cl8 N3.996 O12
Title of publication	Crystal structure of 1^5^,8^5^,10^5^,12^5^,19^5^,21^5^,24^5^,27^5 ^-octa-t-butyl-10^2^,21^2^,24^2^,27^2^-tetrakis[(2-methoxy)ethoxy]- 2,7,13,18-tetraoxa-4,15(5,2),5,16(2,5)-tetrapyridina-1,8,19(2,1,3), 12(1,2,3),10,21,24,27(1,3)-dodecabenzenatricyclo[17.3.3.3^8,12^]-octacosaphane tetrakis(dichloromethane), (C~124~H~152~N~4~O~12~)(CH~2~Cl~2~)~4~
Authors of publication	Akine, S.; Sumitomo, K.; Nabeshima, T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	4
Pages of publication	521 - 524
a	11.262 ± 0.001 Å
b	12.57 ± 0.001 Å
c	24.942 ± 0.001 Å
α	86.895 ± 0.004°
β	83.7 ± 0.004°
γ	69.307 ± 0.003°
Cell volume	3282.7 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8101066.cif
103190	2014-02-27	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101066.cif
100679	2014-02-06	cif/8/ (antanas@lokys.ibt.lt) Adding paper volume.	8101066.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101066.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	8101066.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.	8101066.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/'	8101066.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8101066.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.	8101066.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)	8101066.cif