Crystallography Open Database

Information card for entry 7200268

7200267 << 7200268 >> 7200269

Preview

Coordinates	7200268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 Br2 F9
Calculated formula	C23 H17 Br2 F9
SMILES	Brc1ccc2c(c1)C1(c3c2ccc(Br)c3)C[C@@H]([C@@H](C1)C)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F.Brc1ccc2c(c1)C1(c3c2ccc(Br)c3)C[C@H]([C@H](C1)C)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Title of publication	Novel spiro-fluorenes from tandem radical addition for liquid crystalline monodisperse conjugated oligomers
Authors of publication	Zhang, Xiaojie; Bu, Laju; Qu, Yao; Wang, Lixiang; Geng, Yanhou; Wang, Fosong
Journal of publication	Journal of Materials Chemistry
Year of publication	2009
Journal volume	19
Journal issue	3
Pages of publication	399
a	33.15 ± 0.003 Å
b	13.5383 ± 0.0012 Å
c	11.0627 ± 0.001 Å
α	90°
β	109.036 ± 0.001°
γ	90°
Cell volume	4693.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
180333 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/02.	7200268.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200268.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200268.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7200268.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200268.cif