Crystallography Open Database

Information card for entry 7152005

7152004 << 7152005 >> 7152006

Preview

Coordinates	7152005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H62 Br2 O10
Calculated formula	C51 H62 Br2 O10
SMILES	O(c1c2Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)c(Cc(c1)c(OC)c2)cc6OC)cc5OC)cc4OC)cc3OC)C.BrCCCCCCBr
Title of publication	Efficient synthesis of copillar[5]arenes and their host-guest properties with dibromoalkanes.
Authors of publication	Liu, Luzhi; Cao, Derong; Jin, Yi; Tao, Hongqi; Kou, Yuhui; Meier, Herbert
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	20
Pages of publication	7007 - 7010
a	16.4686 ± 0.0019 Å
b	16.933 ± 0.0019 Å
c	36.391 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	10148 ± 2 Å³
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.094
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7152005.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152005.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7152005.cif
28167	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7152005 via cif-deposit CGI script.	7152005.cif