Crystallography Open Database

Information card for entry 7113860

Preview

Coordinates	7113860.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2,5,2',5'-tetrakis-bromomethyl-biphenyl
Formula	C16 H14 Br4
Calculated formula	C16 H14 Br4
SMILES	BrCc1ccc(CBr)c(c1)c1c(CBr)ccc(CBr)c1
Title of publication	Synthesis, characteristics and luminescence properties of oligo(phenylenevinylene) dimers with a biphenyl linkage center
Authors of publication	He, Feng; Cheng, Gang; Zhang, Haiquan; Zheng, Yan; Xie, Zengqi; Yang, Bing; Ma, Yuguang; Liu, Shiyong; Shen, Jiacong
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	17
Pages of publication	2206 - 2207
a	9.184 ± 0.002 Å
b	9.3868 ± 0.0015 Å
c	11.5616 ± 0.0008 Å
α	108.581 ± 0.011°
β	93.72 ± 0.006°
γ	109.933 ± 0.015°
Cell volume	871.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.11
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1786
Weighted residual factors for all reflections included in the refinement	0.198
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Duplicate of	7103894
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210663 (current)	2018-09-09	cif/7/ Updating bibliorgaphy in entries 7103894, 7113860. Marking entry 7113860 as a duplicate of entry 7103894.	7113860.cif
180252	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38.	7113860.cif
115314	2014-06-03	cif/ Adding structures of 7113860 via cif-deposit CGI script.	7113860.cif