Crystallography Open Database

Information card for entry 7204204

7204203 << 7204204 >> 7204205

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Coordinates	7204204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N4 O
Calculated formula	C20 H18 N4 O
Title of publication	Pyrrole and polypyrrole-based liquid crystals containing azobenzene mesogenic groups
Authors of publication	Chen, Yu; Harrison, William T. A.; Imrie, Corrie T.; Ryder, Karl S.
Journal of publication	Journal of Materials Chemistry
Year of publication	2002
Journal volume	12
Journal issue	3
Pages of publication	579
a	9.5009 ± 0.0006 Å
b	13.9016 ± 0.0009 Å
c	14.6728 ± 0.001 Å
α	66.442 ± 0.002°
β	81.618 ± 0.002°
γ	81.938 ± 0.002°
Cell volume	1750.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.24
Weighted residual factors for all reflections included in the refinement	0.258
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.6923 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7204204.cif
180373	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 7/20/42.	7204204.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204204.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204204.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204204.cif