Crystallography Open Database

Information card for entry 7150647

Preview

Coordinates	7150647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.2 H51.2 Cl3.6 N6
Calculated formula	C45 H26 N6
Title of publication	Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups
Authors of publication	Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	13
Pages of publication	2704 - 2715
a	30.277 ± 0.004 Å
b	30.277 ± 0.004 Å
c	25.361 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	23248 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.2136
Residual factor for significantly intense reflections	0.1808
Weighted residual factors for significantly intense reflections	0.4508
Weighted residual factors for all reflections included in the refinement	0.4742
Goodness-of-fit parameter for all reflections included in the refinement	1.629
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7150647.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150647.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150647.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7150647.cif