Crystallography Open Database

Information card for entry 8103096

Preview

Coordinates	8103096.cif

Structure parameters

Chemical name	(<i>S</i>)-6,6'-Dibromo-2,2'-diethoxy-1,1'-binaphthyl
Formula	C24 H20 Br2 O2
Calculated formula	C24 H20 Br2 O2
SMILES	Brc1cc2ccc(c(c2cc1)c1c2ccc(Br)cc2ccc1OCC)OCC
Title of publication	Crystal structure of (S)-6,6'-dibromo-2,2'-diethoxy-1,1'-binaphthyl, C24H20Br2O2
Authors of publication	Lin-Lin Jing; Hai-Bo Wang; Xiao-Li Sun; Hui-Ping Ma; Zheng-Ping Jia
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	117
a	7.402 ± 0.0008 Å
b	16.6206 ± 0.0018 Å
c	17.3609 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2135.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103096.cif
108146	2014-03-27	cif/8/ (antanas@lokys.ibt.lt) Splitting tags that were concatenated together.	8103096.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103096.cif
29020	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103096 via cif-deposit CGI script.	8103096.cif